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

Systemtic Name: N-[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanamide Openeye Name: N-[1-benzyl-2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanamide CAS Name: N-[1-[(4-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methylpentanamide IUPAC Name: N-[1-[(4-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanamide Traditional Name: N-[1-benzyl-2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-2-[[2-formamido-4-(methylthio)butanoyl]amino]-4-methyl-valeramide Formula: C28H37FN4O4S MolecularWeight: 544.681183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37FN4O4S/c1-19(2)15-24(32-27(36)23(31-18-34)13-14-38-3)28(37)33-25(16-20-7-5-4-6-8-20)26(35)30-17-21-9-11-22(29)12-10-21/h4-12,18-19,23-25H,13-17H2,1-3H3,(H,30,35)(H,31,34)(H,32,36)(H,33,37)