Vasopressin, 1-penicillamine-2-O-metyr-8-lys-
Basic information
- CAS
88210-91-7- Standard SMILES
COc1ccc(C[C@@H]2NC(=O)[C@@H](N)C(C)(C)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1- InChIKey
WWKMYTLSFVWGQW-WSCOOMFJSA-N- Molecular formula
- C49H71N13O12S2
- Average molar mass
- 1,098.3 g/mol
- Monoisotopic mass
- 1,097.4786571
Overview
RN given refers to all (L)-isomer
Names & identifiers
- Preferred name
- Vasopressin, 1-penicillamine-2-O-metyr-8-lys-
- IUPAC
- (2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-methoxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
- English name
- vasopressin, 1-penicillamine-2-O-meTyr-8-Lys-
- Molecular formula
- C49H71N13O12S2
- Molecular weight
- 1098.29794
Names & synonyms
Peme-lvpVasopressin, 1-penicillamine-2-O-metyr-8-lys-1-Penicillamine-2-O-metyr-8-lys-vasopressin88210-91-7Vasopressin, 1-penicillamine-2-O-methyltyrosyl-8-lysine-vasopressin1-Penicillamine-2-O-methyltyrosyl-8-lysine-vasopressinDTXSID50236897RefChem:193818DTXCID80159388Vasopressin, 1-(3-mercapto-L-valine)-2-(O-methyl-L-tyrosine)-8-L-lysine-1-{(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-methoxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl}-L-prolyl-L-lysylglycinamide
Database identifiers
- CAS
88210-91-7- PubChem CID
- 174671
- DTXSID
DTXSID50236897
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 465 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 20
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 2,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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