d(CH2)5[Tyr(Me)2]AVP   Click here for help

GtoPdb Ligand ID: 2223

Synonyms: CGP-25838 | d(CH2)5Tyr(Me)AVP | d(CH2)5[O-methyl-Tyr2]AVP | Pmp[Tyr(Me)2]AVP | SKF-100273 | SKF100273
Comment: Synthetic analogue of AVP
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1)CC1NC(=O)CC2(CCCCC2)SSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1ccccc1)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N
Isomeric SMILES COc1ccc(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)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCN=C(N)N
InChI InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)/t33-,34-,35+,36-,37-,38-,39+/m0/s1
InChI Key QVQOGNOOAMQKCE-OVSZNHMYSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-19-(phenylmethyl)7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
Synonyms Click here for help
CGP-25838 | d(CH2)5Tyr(Me)AVP | d(CH2)5[O-methyl-Tyr2]AVP | Pmp[Tyr(Me)2]AVP | SKF-100273 | SKF100273
Database Links Click here for help
GtoPdb PubChem SID 135652096
PubChem CID 6917952
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