Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)O)cc1- InChIKey
MSPRZGSKEBNJJR-CONSDPRKSA-N- Molecular formula
- C34H43N3O7S
- Average molar mass
- 637.8 g/mol
Names & identifiers
- Preferred name
- (2S)-6-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
- IUPAC
- (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoic acid
Names & synonyms
MSPRZGSKEBNJJR-CONSDPRKSA-N(2S)-6-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-(N'.alpha.-benzyloxycarbonyl-L-phenylalanyl)-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-(N'alpha-benzyloxycarbonyl-L-phenylalanyl)-L-lysine
Database identifiers
- PubChem CID
- 508554
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
5 records
Compound notes
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