Basic information
- Standard SMILES
CC(C)CN([C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1)C(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
AMVXIUBXNJLVKW-UIOOFZCWSA-N- Molecular formula
- C29H36N4O9S3
- Average molar mass
- 680.8 g/mol
Names & identifiers
- Preferred name
- (2S)-2-[isobutyl-(4-nitrophenyl)sulfonyl-amino]-6-[[(2S)-3-phenyl-2-(2-thienylsulfonylamino)propanoyl]amino]hexanoic acid
- IUPAC
- (2S)-2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-6-[[(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]hexanoic acid
Names & synonyms
AMVXIUBXNJLVKW-UIOOFZCWSA-N(2S)-2-[isobutyl-(4-nitrophenyl)sulfonyl-amino]-6-[[(2S)-3-phenyl-2-(2-thienylsulfonylamino)propanoyl]amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-nitrobenzenesulfonyl)-N.epsilon.-[N'.alpha.-(2-thiophenesulfonyl)-L-phenylalanyl]-L-lysineNalpha-isobutyl-Nalpha-(4-nitrobenzenesulfonyl)-Nepsilon-[N'alpha-(2-thiopbenesulfonyl)-L-phenylalanyl]-L-lysineNalpha-isobutyl-Nalpha-(4-nitrobenzenesulfonyl)-Nepsilon-[N'alpha-(2-thiophenesulfonyl)-L-phenylalanyl]-L-lysine
Database identifiers
- PubChem CID
- 508552
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 241 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
9 records
Compound notes
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