Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)C)C(=O)O)cc1- InChIKey
DLWPWBPXDUICKQ-SFTDATJTSA-N- Molecular formula
- C26H42N4O7S
- Average molar mass
- 554.7 g/mol
- Monoisotopic mass
- 554.27742087
Names & identifiers
- Preferred name
- (2S)-6-[[(2S)-4-amino-2-(2,2-dimethylpropanoylamino)-4-oxo-butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
- IUPAC
- (2S)-6-[[(2S)-4-amino-2-(2,2-dimethylpropanoylamino)-4-oxobutanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid
Names & synonyms
DLWPWBPXDUICKQ-SFTDATJTSA-N(2S)-6-[[(2S)-4-amino-2-(2,2-dimethylpropanoylamino)-4-oxo-butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-(N'.alpha.-pivaloyl-L-asparagyl)-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-(N'alpha-pivaloyl-L-asparagyl)-L-lysineNalpha-isobutyl-Nalpha-(4methylbenzenesulfonyl)-Nepsilon-(N'alpha-pivaloyl-L-asparagyl)-L-lysine
Database identifiers
- PubChem CID
- 508585
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 917
Related reactions
5 records
Compound notes
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