2-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-phenyl-ethanethioic S-acid

Systemtic Name: 2-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-phenyl-ethanethioic S-acid Openeye Name: 2-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-phenyl-ethanethioic S-acid CAS Name: 2-[[[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]-2-phenylethanethioic S-acid IUPAC Name: 2-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-phenylethanethioic S-acid Traditional Name: 2-[[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-phenyl-thioacetic acid Formula: C30H38N4O4S MolecularWeight: 550.71212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC(C3=CC=CC=C3)C(=O)S)C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC(C3=CC=CC=C3)C(=O)S)C4CCCCC4

InChI

InChI=1S/C30H38N4O4S/c1-30(2,3)25(35)19-34-24-17-11-10-16-23(24)33(21-14-8-5-9-15-21)18-22(27(34)36)31-29(38)32-26(28(37)39)20-12-6-4-7-13-20/h4,6-7,10-13,16-17,21-22,26H,5,8-9,14-15,18-19H2,1-3H3,(H,37,39)(H2,31,32,38)