Basic information
- CAS
97747-93-8- Standard SMILES
CCOc1ccc(C[C@H](NC(=O)CC2(S)CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C=S)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)CN)cc1- InChIKey
CCLTWSBETPDRKT-OAKHNGAUSA-N- Molecular formula
- C53H76N14O12S2
- Average molar mass
- 1,165.4 g/mol
- Monoisotopic mass
- 1,164.52085626
Overview
argipressin antagonist; RN given refers to all (L)-isomer
Names & identifiers
- Preferred name
- argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-
- IUPAC
- (2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylidenepropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
- English name
- argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-
- Molecular formula
- C53H76N14O12S2
- Molecular weight
- 1165.38714
Names & synonyms
d(CH2)5Tyr(Et)AvpArgipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-97747-93-8DTXSID40243232Arginine vasopressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-tyr(2)-RefChem:113987DTXCID40165723CGP-293251 (1-mercaptocyclohexaneacetic acid)-2-(O-ethyl-Tyr)-argipressinargipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyltyrosine(2)-Cgp 29325(2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylidenepropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
Show more names
arginine-vasopressin
1-(1-Mercaptocyclohexaneacetic acid)-2-(O-ethyl-tyr)-argipressinArgipressin, (1-mercaptocyclohexaneacetic acid)(1)-O-ethyltyrosine(2)-Vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(O-ethyl-L-tyrosine)-8-L-arginine-O-Ethyl-N-[(1-sulfanylcyclohexyl)acetyl]-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-3-sulfanylidene-L-alanyl-L-prolyl-N-(aminoacetyl)-N~5~-(diaminomethylidene)-L-ornithinamide
Database identifiers
- CAS
97747-93-8- PubChem CID
- 175772
- DTXSID
DTXSID40243232
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 460 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 32
- Heavy atoms
- 81
- Formal charge
- 0
- Complexity
- 2,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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