N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-1-(3,3-dimethylbutanoyl)-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-1-(3,3-dimethylbutanoyl)-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-1-benzyl-2-oxo-ethyl)-1-(3,3-dimethylbutanoyl)-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide CAS Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(3,3-dimethyl-1-oxobutyl)-4-[[[3-(methylthio)anilino]-oxomethyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(3,3-dimethylbutanoyl)-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-1-benzyl-2-keto-ethyl)-1-(3,3-dimethylbutanoyl)-4-[[3-(methylthio)phenyl]carbamoylamino]pyrrolidine-2-carboxamide Formula: C28H37N5O4S MolecularWeight: 539.68948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CC(CC1C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC(C)(C)CC(=O)N1CC(CC1C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C28H37N5O4S/c1-28(2,3)16-24(34)33-17-20(31-27(37)30-19-11-8-12-21(14-19)38-4)15-23(33)26(36)32-22(25(29)35)13-18-9-6-5-7-10-18/h5-12,14,20,22-23H,13,15-17H2,1-4H3,(H2,29,35)(H,32,36)(H2,30,31,37)