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Adrenomedullin (rat)

CAT: 1410-M40666-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Adrenomedullin (rat) is an effective vasodilator peptide. Adrenomedullin is actively secreted by endothelial cells (EC) and vascular smooth muscle cells (VSMC) .
CAS Number
161383-47-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
5729.49
Molecular Formula
C242H381N77O75S5
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Adrenomedullin (rat)
CAS Number161383-47-7
PubChem CID171703585
IUPAC Name(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(4R,7S,13S,16S,19R)-19-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-13-benzyl-16-(3-carbamimidamidopropyl)-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-4-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[2-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
Molecular FormulaC242H381N77O75S5
Molecular Weight5729
XLogP-32.7
Topological Polar Surface Area2660
Hydrogen Bond Donor Count88
Hydrogen Bond Acceptor Count90
Rotatable Bond Count186
Heavy Atom Count399
Formal Charge0
Complexity14300
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CNC=N6)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]7CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N7)[C@@H](C)O)CC8=CC=CC=C8)CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC9=CC=C(C=C9)O)N
InChI
InChI=1S/C242H381N77O75S5/c1-16-118(5)188(232(388)306-156(97-130-56-62-134(330)63-57-130)217(373)292-147(67-73-175(251)334)210(366)301-157(96-127-40-22-19-23-41-127)223(379)316-193(125(12)327)236(392)307-163(103-187(348)349)222(378)285-138(44-26-30-81-245)205(361)305-162(102-186(346)347)221(377)284-137(43-25-29-80-244)204(360)304-161(101-185(344)345)200(356)272-105-180(339)278-150(76-89-395-13)201(357)277-121(8)237(393)318-87-36-50-170(318)229(385)295-143(49-35-86-269-242(263)264)207(363)302-159(99-178(254)337)219(375)286-139(45-27-31-82-246)214(370)313-189(119(6)17-2)233(389)310-167(113-323)238(394)319-88-37-51-171(319)230(386)296-145(65-71-173(249)332)198(354)270-106-181(340)279-153(194(256)350)94-129-54-60-133(329)61-55-129)314-215(371)149(69-75-177(253)336)293-218(374)158(98-131-104-265-116-275-131)298-195(351)120(7)276-216(372)154(92-117(3)4)299-203(359)136(42-24-28-79-243)283-209(365)146(66-72-174(250)333)291-212(368)152(78-91-397-15)297-235(391)192(124(11)326)317-228(384)169-115-399-398-114-168(227(383)288-141(47-33-84-267-240(259)260)206(362)300-155(95-126-38-20-18-21-39-126)199(355)273-109-184(343)312-191(123(10)325)234(390)311-169)281-183(342)108-274-231(387)190(122(9)324)315-226(382)166(112-322)309-208(364)142(48-34-85-268-241(261)262)287-224(380)164(110-320)280-182(341)107-271-197(353)144(64-70-172(248)331)289-220(376)160(100-179(255)338)303-213(369)151(77-90-396-14)294-225(381)165(111-321)308-211(367)148(68-74-176(252)335)290-202(358)140(46-32-83-266-239(257)258)282-196(352)135(247)93-128-52-58-132(328)59-53-128/h18-23,38-41,52-63,104,116-125,135-171,188-193,320-330H,16-17,24-37,42-51,64-103,105-115,243-247H2,1-15H3,(H2,248,331)(H2,249,332)(H2,250,333)(H2,251,334)(H2,252,335)(H2,253,336)(H2,254,337)(H2,255,338)(H2,256,350)(H,265,275)(H,270,354)(H,271,353)(H,272,356)(H,273,355)(H,274,387)(H,276,372)(H,277,357)(H,278,339)(H,279,340)(H,280,341)(H,281,342)(H,282,352)(H,283,365)(H,284,377)(H,285,378)(H,286,375)(H,287,380)(H,288,383)(H,289,376)(H,290,358)(H,291,368)(H,292,373)(H,293,374)(H,294,381)(H,295,385)(H,296,386)(H,297,391)(H,298,351)(H,299,359)(H,300,362)(H,301,366)(H,302,363)(H,303,369)(H,304,360)(H,305,361)(H,306,388)(H,307,392)(H,308,367)(H,309,364)(H,310,389)(H,311,390)(H,312,343)(H,313,370)(H,314,371)(H,315,382)(H,316,379)(H,317,384)(H,344,345)(H,346,347)(H,348,349)(H4,257,258,266)(H4,259,260,267)(H4,261,262,268)(H4,263,264,269)/t118-,119-,120-,121-,122+,123+,124+,125+,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,188-,189-,190-,191-,192-,193-/m0/s1
InChIKey
HGNNTPDSERTJKW-ZDSHUXLYSA-N
Chemical Structure
2D Structure
2D structure of Adrenomedullin (rat)
CAS: 161383-47-7
CID: 171703585
Formula: C242H381N77O75S5
MW: 5729
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight5729
XLogP3-32.7
Hydrogen Bond Donor Count88
Hydrogen Bond Acceptor Count90
Rotatable Bond Count186
Exact Mass5727.7036975
Monoisotopic Mass5725.6969878
Topological Polar Surface Area2660 Ų
Heavy Atom Count399
Formal Charge0
Complexity14300
Isotope Atom Count0
Defined Atom Stereocenter Count51
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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