Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)OC(C)(C)C)C(=O)O)cc1- InChIKey
KYUQSPIELIDPSC-NSOVKSMOSA-N- Molecular formula
- C32H47N3O7S
- Average molar mass
- 617.8 g/mol
- Monoisotopic mass
- 617.31347202
Names & identifiers
- Preferred name
- (2S)-6-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]-3-phenyl-propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
- IUPAC
- (2S)-6-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid
Names & synonyms
KYUQSPIELIDPSC-NSOVKSMOSA-N(2S)-6-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]-3-phenyl-propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-(N'.alpha.-tert-butoxycarbonyl-N'.alpha.-methyl-L-phenylalanyl)-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-(N'alpha-tert-butoxycarbonyl-N'alpha-methyl-L-phenylalanyl)-L-lysine
Database identifiers
- PubChem CID
- 508602
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 991
Related reactions
5 records
Linked notes
Loading…