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Dendroaspis Natriuretic Peptide

CAT: 0121-4033517.0500Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0121-4033517.0500Size:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
255721-52-9
Specifications
H-4904.0500
Synonyms
DNP
Sequence
H-Glu-Val-Lys-Tyr-Asp-Pro-Cys-Phe-Gly-His-Lys-Ile-Asp-Arg-Ile-Asn-His-Val-Ser-Asn-Leu-Gly-Cys-Pro-Ser-Leu-Arg-Asp-Pro-Arg-Pro-Asn-Ala-Pro-Ser-Thr-Ser-Ala-OH
Molecular Formula
C₁₈₀H₂₈₂N₅₆O₅₆S₂
Molecular Weight
4190.69
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

CID 171920853
CAS Number255721-52-9
PubChem CID171920853
IUPAC Name(4S)-4-amino-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(4R,10S,13S,16S,19S,22S,25S,28S,31S,34S,37S,40S,43S,49S,52R)-40-(4-aminobutyl)-4-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-13,25-bis(2-amino-2-oxoethyl)-49-benzyl-28,37-bis[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22,43-bis(1H-imidazol-4-ylmethyl)-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-19-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacont-52-yl]carbamoyl]pyrrolidin-1-yl]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC180H282N56O56S2
Molecular Weight4191
XLogP-21.8
Topological Polar Surface Area1840
Hydrogen Bond Donor Count60
Hydrogen Bond Acceptor Count66
Rotatable Bond Count99
Heavy Atom Count294
Formal Charge0
Complexity10400
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC=N2)CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CCCNC(=N)N)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)CC(C)C)CC(=O)N)CO)C(C)C)CC1=CNC=N1)CC(=O)N)[C@@H](C)CC)CCCNC(=N)N)CC(=O)O
InChI
InChI=1S/C180H282N56O56S2/c1-16-89(11)139-169(283)218-113(69-130(186)245)154(268)215-110(66-97-74-194-84-201-97)156(270)228-138(88(9)10)168(282)224-119(79-239)159(273)216-112(68-129(185)244)153(267)211-105(61-85(3)4)143(257)198-76-132(247)205-122(176(290)236-60-32-43-126(236)165(279)222-118(78-238)158(272)212-106(62-86(5)6)150(264)207-102(37-25-53-195-178(187)188)146(260)220-115(71-135(252)253)174(288)234-58-30-41-124(234)162(276)210-104(39-27-55-197-180(191)192)173(287)233-57-29-42-125(233)163(277)217-111(67-128(184)243)149(263)202-91(13)172(286)232-56-28-40-123(232)164(278)223-120(80-240)160(274)231-141(93(15)241)171(285)225-117(77-237)157(271)203-92(14)177(291)292)82-294-293-81-121(226-166(280)127-44-31-59-235(127)175(289)116(72-136(254)255)221-151(265)108(64-95-45-47-98(242)48-46-95)214-145(259)100(35-21-23-51-181)209-167(281)137(87(7)8)227-142(256)99(183)49-50-133(248)249)161(275)213-107(63-94-33-19-18-20-34-94)144(258)199-75-131(246)204-109(65-96-73-193-83-200-96)152(266)206-101(36-22-24-52-182)147(261)229-140(90(12)17-2)170(284)219-114(70-134(250)251)155(269)208-103(148(262)230-139)38-26-54-196-179(189)190/h18-20,33-34,45-48,73-74,83-93,99-127,137-141,237-242H,16-17,21-32,35-44,49-72,75-82,181-183H2,1-15H3,(H2,184,243)(H2,185,244)(H2,186,245)(H,193,200)(H,194,201)(H,198,257)(H,199,258)(H,202,263)(H,203,271)(H,204,246)(H,205,247)(H,206,266)(H,207,264)(H,208,269)(H,209,281)(H,210,276)(H,211,267)(H,212,272)(H,213,275)(H,214,259)(H,215,268)(H,216,273)(H,217,277)(H,218,283)(H,219,284)(H,220,260)(H,221,265)(H,222,279)(H,223,278)(H,224,282)(H,225,285)(H,226,280)(H,227,256)(H,228,270)(H,229,261)(H,230,262)(H,231,274)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,291,292)(H4,187,188,195)(H4,189,190,196)(H4,191,192,197)/t89-,90-,91-,92-,93+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,137-,138-,139-,140-,141-/m0/s1
InChIKey
GEDFABJDSBUAHZ-OBNQBNKVSA-N
Chemical Structure
2D Structure
2D structure of CID 171920853
CAS: 255721-52-9
CID: 171920853
Formula: C180H282N56O56S2
MW: 4191
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight4191
XLogP3-21.8
Hydrogen Bond Donor Count60
Hydrogen Bond Acceptor Count66
Rotatable Bond Count99
Exact Mass4189.0415191
Monoisotopic Mass4188.0381643
Topological Polar Surface Area1840 Ų
Heavy Atom Count294
Formal Charge0
Complexity10400
Isotope Atom Count0
Defined Atom Stereocenter Count39
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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