(2S)-6-[[(2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid (HCID 508603)

Substructure search Find similar structures

Basic information

Standard SMILES: CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCC[C@@H](C(=O)O)N(CC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIKey: QRTVTHUMWFHVTK-GOTSBHOMSA-N
Molecular formula: C27H45N3O7S2
Average molar mass: 587.8 g/mol
Monoisotopic mass: 587.26989313

Names & identifiers

Preferred name: (2S)-6-[[(2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
IUPAC: (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]hexanoic acid

Names & synonyms

QRTVTHUMWFHVTK-GOTSBHOMSA-N(2S)-6-[[(2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-(N'.alpha.-tert-butoxycarbonyl-L-methionyl)-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-(N'alpha-tert-butoxycarbonyl-L-methionyl)-L-lysine