S-[2-azanyl-4-methyl-1-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-(3-phenylpropanoyl)amino]-1-oxidanylidene-pentan-2-yl] ethanethioate

Systemtic Name: S-[2-azanyl-4-methyl-1-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-(3-phenylpropanoyl)amino]-1-oxidanylidene-pentan-2-yl] ethanethioate Openeye Name: S-[1-amino-1-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]-(3-phenylpropanoyl)carbamoyl]-3-methyl-butyl] ethanethioate CAS Name: ethanethioic acid S-[2-amino-4-methyl-1-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-(1-oxo-3-phenylpropyl)amino]-1-oxopentan-2-yl] ester IUPAC Name: S-[2-amino-4-methyl-1-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-(3-phenylpropanoyl)amino]-1-oxopentan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-amino-1-[[1-benzyl-2-keto-2-(methylamino)ethyl]-hydrocinnamoyl-carbamoyl]-3-methyl-butyl] ester Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC)C(=O)CCC2=CC=CC=C2)(N)SC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC)C(=O)CCC2=CC=CC=C2)(N)SC(=O)C

InChI

InChI=1S/C27H35N3O4S/c1-19(2)18-27(28,35-20(3)31)26(34)30(24(32)16-15-21-11-7-5-8-12-21)23(25(33)29-4)17-22-13-9-6-10-14-22/h5-14,19,23H,15-18,28H2,1-4H3,(H,29,33)