Basic information
- Standard SMILES
COC(=O)[C@H](CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)N(CC(C)C)S(=O)(=O)c1ccc(C)cc1- InChIKey
DLYRKZYLWFWOGE-ACHIHNKUSA-N- Molecular formula
- C34H45N3O7S2
- Average molar mass
- 671.9 g/mol
Names & identifiers
- Preferred name
- methyl (2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[[(2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoyl]amino]hexanoate
- IUPAC
- methyl (2S)-6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate
Names & synonyms
DLYRKZYLWFWOGE-ACHIHNKUSA-Nmethyl (2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[[(2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoyl]amino]hexanoateN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-[N'.alpha.-(4-methylbenzenesulfonyl)-L-phenylalanyl]-L-lysine methyl esterNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-[N'alpha-(4-methylbenzenesulfonyl)-L-phenylalanyl]-L-lysine methyl ester
Database identifiers
- PubChem CID
- 508591
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
5 records
Compound notes
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