(phenylmethyl) N-[4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylsulfanyl)butan-2-yl]amino]pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylsulfanyl)butan-2-yl]amino]pentan-2-yl]carbamate Openeye Name: benzyl N-[1-[[1-benzyl-2-oxo-3-(2-pyridylmethylsulfanyl)propyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[4-methyl-1-oxo-1-[[3-oxo-1-phenyl-4-(2-pyridinylmethylthio)butan-2-yl]amino]pentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-methyl-1-oxo-1-[[3-oxo-1-phenyl-4-(pyridin-2-ylmethylsulfanyl)butan-2-yl]amino]pentan-2-yl]carbamate Traditional Name: N-[1-[[1-benzyl-2-keto-3-(2-pyridylmethylthio)propyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C30H35N3O4S MolecularWeight: 533.6816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CC=N2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CC=N2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H35N3O4S/c1-22(2)17-27(33-30(36)37-19-24-13-7-4-8-14-24)29(35)32-26(18-23-11-5-3-6-12-23)28(34)21-38-20-25-15-9-10-16-31-25/h3-16,22,26-27H,17-21H2,1-2H3,(H,32,35)(H,33,36)