2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-N-[1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]pentanamide

Systemtic Name: 2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-N-[1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]pentanamide Openeye Name: N-[1-benzyl-2-(benzylamino)-2-oxo-ethyl]-2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanamide CAS Name: 2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-N-[1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]pentanamide IUPAC Name: N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanamide Traditional Name: N-[1-benzyl-2-(benzylamino)-2-keto-ethyl]-2-[[2-formamido-4-(methylthio)butanoyl]amino]-4-methyl-valeramide Formula: C28H38N4O4S MolecularWeight: 526.69072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2)NC(=O)C(CCSC)NC=O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2)NC(=O)C(CCSC)NC=O

InChI

InChI=1S/C28H38N4O4S/c1-20(2)16-24(31-27(35)23(30-19-33)14-15-37-3)28(36)32-25(17-21-10-6-4-7-11-21)26(34)29-18-22-12-8-5-9-13-22/h4-13,19-20,23-25H,14-18H2,1-3H3,(H,29,34)(H,30,33)(H,31,35)(H,32,36)