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

Systemtic Name: 2-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-(phenylsulfinyl)ethanoic acid Openeye Name: 2-(benzenesulfinyl)-2-[[5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]acetic acid CAS Name: 2-(benzenesulfinyl)-2-[[[[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]acetic acid IUPAC Name: 2-(benzenesulfinyl)-2-[[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]acetic acid Traditional Name: 2-(benzenesulfinyl)-2-[[4-keto-5-(2-keto-3,3-dimethyl-butyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]acetic acid Formula: C30H32N4O6S MolecularWeight: 576.66328

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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(C(=O)O)S(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC(C(=O)O)S(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H32N4O6S/c1-30(2,3)25(35)19-34-24-17-11-10-16-23(24)33(20-12-6-4-7-13-20)18-22(27(34)36)31-29(39)32-26(28(37)38)41(40)21-14-8-5-9-15-21/h4-17,22,26H,18-19H2,1-3H3,(H,37,38)(H2,31,32,39)