Basic information
- CAS
77225-24-2- Standard SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O- InChIKey
UACHJDGPXGGVJB-STHRDQOLSA-N- Molecular formula
- C41H64N12O12S2
- Average molar mass
- 981.2 g/mol
- Monoisotopic mass
- 980.42080787
Overview
memory-modulating neuropeptide
Names & identifiers
- Preferred name
- oxytocin, Sar(7)-
- IUPAC
- (4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-N-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
- English name
- oxytocin, Sar(7)-
- Molecular formula
- C41H64N12O12S2
- Molecular weight
- 981.15
Names & synonyms
7-Sar-oxytocinOxytocin, sar(7)-Oxytocin, sarcosine(7)-77225-24-2RefChem:1691667-(N-Methylglycine)oxytocinOxytocin, 7-(N-methylglycine)-Oxytocin, 7-(N-methylglycine)- (9CI)
Database identifiers
- CAS
77225-24-2- PubChem CID
- 129010908
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 450 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 18
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 1,790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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