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Adrenotensin (human)

CAT: 0931-T76473-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T76473-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
166546-72-1
Target
CGRP Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
Adrenotensin (human) (Pro-ADM-153-185 (human) ), a 153-185 fragment of the Adrenomedullin precursor peptide, is a 52-amino acid peptide from the CGRP superfamily that plays a diverse role in vasodilation [1].
Smiles
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(O)=O
Molecular Formula
C143H224N42O43
Molecular Weight
3219.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Ser-Leu-Pro-Glu-Ala-Gly-Pro-Gly-Arg-Thr-Leu-Val-Ser-Ser-Lys-Pro-Gln-Ala-His-Gly-Ala-Pro-Ala-Pro-Pro-Ser-Gly-Ser-Ala-Pro-His-Phe-Leu-OH
CAS Number166546-72-1
PubChem CID171361035
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC143H224N42O43
Molecular Weight3219.6
XLogP-15.4
Topological Polar Surface Area1280
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count48
Rotatable Bond Count92
Heavy Atom Count228
Formal Charge0
Complexity7750
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]9CCCN9C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N)O
InChI
InChI=1S/C143H224N42O43/c1-71(2)52-89(171-135(220)113(80(14)191)178-121(206)85(31-20-44-151-143(147)148)163-108(194)62-154-128(213)99-32-21-45-179(99)110(196)63-155-114(199)75(9)159-120(205)87(40-42-111(197)198)166-131(216)103-36-25-49-183(103)140(225)93(53-72(3)4)172-116(201)84(145)64-186)124(209)177-112(74(7)8)134(219)176-98(68-190)127(212)174-97(67-189)126(211)167-88(30-18-19-43-144)139(224)182-48-24-35-102(182)130(215)165-86(39-41-106(146)192)119(204)160-76(10)115(200)168-91(56-82-58-149-69-156-82)117(202)152-60-107(193)158-77(11)136(221)180-46-22-33-100(180)129(214)162-79(13)138(223)185-51-27-38-105(185)141(226)184-50-26-37-104(184)133(218)175-95(65-187)118(203)153-61-109(195)164-96(66-188)125(210)161-78(12)137(222)181-47-23-34-101(181)132(217)170-92(57-83-59-150-70-157-83)123(208)169-90(55-81-28-16-15-17-29-81)122(207)173-94(142(227)228)54-73(5)6/h15-17,28-29,58-59,69-80,84-105,112-113,186-191H,18-27,30-57,60-68,144-145H2,1-14H3,(H2,146,192)(H,149,156)(H,150,157)(H,152,202)(H,153,203)(H,154,213)(H,155,199)(H,158,193)(H,159,205)(H,160,204)(H,161,210)(H,162,214)(H,163,194)(H,164,195)(H,165,215)(H,166,216)(H,167,211)(H,168,200)(H,169,208)(H,170,217)(H,171,220)(H,172,201)(H,173,207)(H,174,212)(H,175,218)(H,176,219)(H,177,209)(H,178,206)(H,197,198)(H,227,228)(H4,147,148,151)/t75-,76-,77-,78-,79-,80+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,112-,113-/m0/s1
InChIKey
PPXCDLSJHBFXFB-XMNBZAFWSA-N
Chemical Structure
2D Structure
2D structure of H-Ser-Leu-Pro-Glu-Ala-Gly-Pro-Gly-Arg-Thr-Leu-Val-Ser-Ser-Lys-Pro-Gln-Ala-His-Gly-Ala-Pro-Ala-Pro-Pro-Ser-Gly-Ser-Ala-Pro-His-Phe-Leu-OH
CAS: 166546-72-1
CID: 171361035
Formula: C143H224N42O43
MW: 3219.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3219.6
XLogP3-15.4
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count48
Rotatable Bond Count92
Exact Mass3218.6665988
Monoisotopic Mass3217.6632440
Topological Polar Surface Area1280 Ų
Heavy Atom Count228
Formal Charge0
Complexity7750
Isotope Atom Count0
Defined Atom Stereocenter Count30
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19036064-01Adrenotensin (human)
HY-P3919A-01Adrenotensin (human) (TFA)
301858Adrenomedullin, pro, aa153-185, Human (Adrenotensin)
010-07Pro-Adrenomedullin (153-185) / Adrenotensin (Human)
H-010-07Pro-Adrenomedullin (153-185) / Adrenotensin (Human) - Antibody
RK-010-07Pro-Adrenomedullin (153-185) / Adrenotensin (Human) - RIA Kit
T-010-07Pro-Adrenomedullin (153-185) / Adrenotensin (Human) - I-125 Labeled
G-010-07Pro-Adrenomedullin (153-185) / Adrenotensin (Human) - Purified IgG Antibody
T-G-010-07Pro-Adrenomedullin (153-185) / Adrenotensin (Human) - I-125 Labeled Purified IgG
P83251PMG36e-ADH1B (human-opt-human) -ALDH2 (human-opt-human)

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