oxytocin, GlyNH2(10)-
Basic information
- CAS
21687-84-3- Standard SMILES
CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O- InChIKey
SJYQCRGUNFCHAU-AXYFKZAVSA-N- Molecular formula
- C45H69N13O13S2
- Average molar mass
- 1,064.2 g/mol
- Monoisotopic mass
- 1,063.45792165
Names & identifiers
- Preferred name
- oxytocin, GlyNH2(10)-
- IUPAC
- (2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
- English name
- oxytocin, GlyNH2(10)-
- Molecular formula
- C45H69N13O13S2
- Molecular weight
- 1064.24
Names & synonyms
Oxytocin, glynh2(10)-10-Glynh2-oxytocin21687-84-3Oxytocin, glycinamide(10)-RefChem:169151Oxytocin, 8a-endo-glycine-Oxytocin Impurity 17
Database identifiers
- CAS
21687-84-3- PubChem CID
- 167997
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 479 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 19
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 2,010
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Compound notes
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