N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: 3-benzyl-N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-1-(3-methyl-2-sulfanyl-butanoyl)pyrrolidine-2-carboxamide CAS Name: 1-(2-mercapto-3-methyl-1-oxobutyl)-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 3-benzyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-(3-methyl-2-sulfanylbutanoyl)pyrrolidine-2-carboxamide Traditional Name: 3-benzyl-N-[1-benzyl-2-keto-2-(methylamino)ethyl]-1-(2-mercapto-3-methyl-butanoyl)pyrrolidine-2-carboxamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(C1C(=O)NC(CC2=CC=CC=C2)C(=O)NC)CC3=CC=CC=C3)S

Isomeric SMILES

CC(C)C(C(=O)N1CCC(C1C(=O)NC(CC2=CC=CC=C2)C(=O)NC)CC3=CC=CC=C3)S

InChI

InChI=1S/C27H35N3O3S/c1-18(2)24(34)27(33)30-15-14-21(16-19-10-6-4-7-11-19)23(30)26(32)29-22(25(31)28-3)17-20-12-8-5-9-13-20/h4-13,18,21-24,34H,14-17H2,1-3H3,(H,28,31)(H,29,32)