Oxytocin, 4-L-asparagine-
Basic information
- CAS
4117-65-1- Standard SMILES
CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSCC(C(=O)N2CCCC2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O- InChIKey
VIFAMMRBZBWEID-JOHMJIRDSA-N- Molecular formula
- C42H64N12O12S2
- Average molar mass
- 993.2 g/mol
- Monoisotopic mass
- 992.42080787
Overview
Oxytocin, 4-L-asparagine- has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- Oxytocin, 4-L-asparagine-
- IUPAC
- 1-[(7S,10S,16S,19R)-19-amino-7,10-bis(2-amino-2-oxoethyl)-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-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Names & synonyms
Oxytocin, 4-L-asparagine-SCHEMBL2398841NS00125978
Database identifiers
- CAS
4117-65-1- PubChem CID
- 68625
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 450 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 16
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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