d(CH2)5[Tyr(Et)2,Val4,des-Gly9]AVP   

GtoPdb Ligand ID: 2217

Synonyms: dGTyr(Et)VAVP | Mcp-tva-argipressin | SK&F 101926 | SK&F 10196
Comment: Synthetic analogue of AVP
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES CCOc1ccc(cc1)CC1NC(=O)CC2(CCCCC2)SSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1ccccc1)C(C)C)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)N)CCCN=C(N)N
Isomeric SMILES CCOc1ccc(cc1)C[C@H]1NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)C(C)C)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CCCN=C(N)N
InChI InChI=1S/C51H74N12O10S2/c1-4-73-33-19-17-32(18-20-33)26-35-44(67)59-36(25-31-13-7-5-8-14-31)46(69)62-42(30(2)3)48(71)60-37(27-40(52)64)45(68)61-38(29-74-75-51(28-41(65)57-35)21-9-6-10-22-51)49(72)63-24-12-16-39(63)47(70)58-34(43(53)66)15-11-23-56-50(54)55/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,52,64)(H2,53,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,54,55,56)/t34-,35+,36-,37-,38-,39-,42-/m0/s1
InChI Key DRLYXDZRLDZVIS-XXNQTUAPSA-N
Classification
Compound class Peptide or derivative
IUPAC Name
(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-19-(phenylmethyl)-16-propan-2-yl7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
Synonyms
dGTyr(Et)VAVP | Mcp-tva-argipressin | SK&F 101926 | SK&F 10196
Comments
Synthetic analogue of AVP
Database Links
CAS Registry No. 90332-82-4 (source: Scifinder)
GtoPdb PubChem SID 135652095
PubChem CID 122322
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