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

Systemtic Name: (2S)-2-azanyl-4-[[(2S)-2-ethanoylsulfanyl-3-methyl-butanoyl]amino]-4-methyl-3-oxidanylidene-2-(phenylsulfonylaminomethyl)pentanoic acid Openeye Name: (2S)-4-[[(2S)-2-acetylsulfanyl-3-methyl-butanoyl]amino]-2-amino-2-(benzenesulfonamidomethyl)-4-methyl-3-oxo-pentanoic acid CAS Name: (2S)-4-[[(2S)-2-(acetylthio)-3-methyl-1-oxobutyl]amino]-2-amino-2-(benzenesulfonamidomethyl)-4-methyl-3-oxopentanoic acid IUPAC Name: (2S)-4-[[(2S)-2-acetylsulfanyl-3-methylbutanoyl]amino]-2-amino-2-(benzenesulfonamidomethyl)-4-methyl-3-oxopentanoic acid Traditional Name: (2S)-4-[[(2S)-2-(acetylthio)-3-methyl-butanoyl]amino]-2-amino-2-(benzenesulfonamidomethyl)-3-keto-4-methyl-valeric acid Formula: C20H29N3O7S2 MolecularWeight: 487.59016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)(C)C(=O)C(CNS(=O)(=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@@](CNS(=O)(=O)C1=CC=CC=C1)(C(=O)O)N)SC(=O)C

InChI

InChI=1S/C20H29N3O7S2/c1-12(2)15(31-13(3)24)16(25)23-19(4,5)17(26)20(21,18(27)28)11-22-32(29,30)14-9-7-6-8-10-14/h6-10,12,15,22H,11,21H2,1-5H3,(H,23,25)(H,27,28)/t15-,20-/m0/s1