(2S)-2-azanyl-2-(benzamidomethyl)-4-[[(2S)-2-ethanoylsulfanyl-3-methyl-butanoyl]amino]-4-methyl-3-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-2-(benzamidomethyl)-4-[[(2S)-2-ethanoylsulfanyl-3-methyl-butanoyl]amino]-4-methyl-3-oxidanylidene-pentanoic acid Openeye Name: (2S)-4-[[(2S)-2-acetylsulfanyl-3-methyl-butanoyl]amino]-2-amino-2-(benzamidomethyl)-4-methyl-3-oxo-pentanoic acid CAS Name: (2S)-4-[[(2S)-2-(acetylthio)-3-methyl-1-oxobutyl]amino]-2-amino-2-(benzamidomethyl)-4-methyl-3-oxopentanoic acid IUPAC Name: (2S)-4-[[(2S)-2-acetylsulfanyl-3-methylbutanoyl]amino]-2-amino-2-(benzamidomethyl)-4-methyl-3-oxopentanoic acid Traditional Name: (2S)-4-[[(2S)-2-(acetylthio)-3-methyl-butanoyl]amino]-2-amino-2-(benzamidomethyl)-3-keto-4-methyl-valeric acid Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)(C)C(=O)C(CNC(=O)C1=CC=CC=C1)(C(=O)O)N)SC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(C)(C)C(=O)[C@@](CNC(=O)C1=CC=CC=C1)(C(=O)O)N)SC(=O)C

InChI

InChI=1S/C21H29N3O6S/c1-12(2)15(31-13(3)25)17(27)24-20(4,5)18(28)21(22,19(29)30)11-23-16(26)14-9-7-6-8-10-14/h6-10,12,15H,11,22H2,1-5H3,(H,23,26)(H,24,27)(H,29,30)/t15-,21-/m0/s1