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

Systemtic Name: S-[2-azanyl-4-methyl-1-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-(4-phenylbutanoyl)amino]-1-oxidanylidene-pentan-2-yl] ethanethioate Openeye Name: S-[1-amino-1-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]-(4-phenylbutanoyl)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-4-phenylbutyl)amino]-1-oxopentan-2-yl] ester IUPAC Name: S-[2-amino-4-methyl-1-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-(4-phenylbutanoyl)amino]-1-oxopentan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-amino-1-[[1-benzyl-2-keto-2-(methylamino)ethyl]-(4-phenylbutanoyl)carbamoyl]-3-methyl-butyl] ester Formula: C28H37N3O4S MolecularWeight: 511.67608

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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)CCCC2=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)CCCC2=CC=CC=C2)(N)SC(=O)C

InChI

InChI=1S/C28H37N3O4S/c1-20(2)19-28(29,36-21(3)32)27(35)31(25(33)17-11-16-22-12-7-5-8-13-22)24(26(34)30-4)18-23-14-9-6-10-15-23/h5-10,12-15,20,24H,11,16-19,29H2,1-4H3,(H,30,34)