(2S)-6-[[(2S)-4-amino-2-benzamido-4-oxo-butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid

HCID 508586

Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2)C(=O)O)cc1
InChIKey
MLOOSLOLFARHMQ-ZEQRLZLVSA-N
Molecular formula
C28H38N4O7S
Average molar mass
574.7 g/mol
Monoisotopic mass
574.24612074

Names & identifiers

Preferred name
(2S)-6-[[(2S)-4-amino-2-benzamido-4-oxo-butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
IUPAC
(2S)-6-[[(2S)-4-amino-2-benzamido-4-oxobutanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid

Names & synonyms

MLOOSLOLFARHMQ-ZEQRLZLVSA-N(2S)-6-[[(2S)-4-amino-2-benzamido-4-oxo-butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-(N'.alpha.-benzoyl-L-asparagyl)-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-(N'alpha-benzoyl-L-asparagyl)-L-lysine

Database identifiers

PubChem CID
508586

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
184 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
16
Heavy atoms
40

Related reactions

5 records

Compound notes

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