Basic information
- Standard SMILES
COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCC[C@@H](C(=O)O)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1- InChIKey
MCPSMCKNEVJJJK-CONSDPRKSA-N- Molecular formula
- C34H44N4O7S
- Average molar mass
- 652.8 g/mol
Names & identifiers
- Preferred name
- (2S)-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-[[(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid
- IUPAC
- (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
Names & synonyms
MCPSMCKNEVJJJK-CONSDPRKSA-N(2S)-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-[[(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenyl-propanoyl]amino]hexanoic acidN.alpha.-(4-aminobenzenesulfonyl)-N.alpha.-isobutyl-N.epsilon.-[N'.alpha.-(4-methoxyphenylacetyl)-L-phenylalanyl]-L-lysineNalpha-(4-aminobenzenesulfonyl)-Nalpha-isobutyl-Nepsilon-[N'alpha-(4-methoxyphenylacetyl)-L-phenylalanyl]-L-lysine
Database identifiers
- PubChem CID
- 508685
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
5 records
Compound notes
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