N-{2-[(3S)-4-hydroxy-3-{(3-methylbutyl)[(4-nitrophenyl)sulfonyl]amino}butyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Basic information
- Standard SMILES
COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1- InChIKey
JRMPLDHSAHXNNW-IKYOIFQTSA-N- Molecular formula
- C38H44N4O8S
- Average molar mass
- 716.8 g/mol
Names & identifiers
- Preferred name
- N-{2-[(3S)-4-hydroxy-3-{(3-methylbutyl)[(4-nitrophenyl)sulfonyl]amino}butyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
- IUPAC
- methyl N-[(2S)-1-[2-[(3S)-4-hydroxy-3-[3-methylbutyl-(4-nitrophenyl)sulfonylamino]butyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
Names & synonyms
SCHEMBL10080427JRMPLDHSAHXNNW-IKYOIFQTSA-NN-{2-[(3S)-4-hydroxy-3-{(3-methylbutyl)[(4-nitrophenyl)sulfonyl]amino}butyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Database identifiers
- PubChem CID
- 68029328
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
1 records
Compound notes
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