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

Systemtic Name: 2-[3-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]phenyl]sulfinylethanoic acid Openeye Name: 2-[3-[[5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]phenyl]sulfinylacetic acid CAS Name: 2-[3-[[[[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]phenyl]sulfinylacetic acid IUPAC Name: 2-[3-[[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]phenyl]sulfinylacetic acid Traditional Name: 2-[3-[[4-keto-5-(2-keto-3,3-dimethyl-butyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]phenyl]sulfinylacetic 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)NC3=CC(=CC=C3)S(=O)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC(=CC=C3)S(=O)CC(=O)O)C4=CC=CC=C4

InChI

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