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

HCID 508584

Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)NCCCC[C@@H](C(=O)O)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
AFAFVTKIDZXISM-DQEYMECFSA-N
Molecular formula
C28H40N4O8S2
Average molar mass
624.8 g/mol
Monoisotopic mass
624.22875659

Names & identifiers

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

Names & synonyms

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

Database identifiers

PubChem CID
508584

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
210 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
10
Rotatable bonds
17
Heavy atoms
42

Related reactions

5 records

Compound notes

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