3-[[1-(3,3-dimethyl-2-oxidanylidene-pentyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[1-(3,3-dimethyl-2-oxidanylidene-pentyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-(3,3-dimethyl-2-oxo-pentyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-(3,3-dimethyl-2-oxopentyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(3,3-dimethyl-2-oxopentyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-keto-1-(2-keto-3,3-dimethyl-pentyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C30H30N4O5 MolecularWeight: 526.583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H30N4O5/c1-4-30(2,3)24(35)18-34-23-16-9-8-15-22(23)25(19-11-6-5-7-12-19)32-26(27(34)36)33-29(39)31-21-14-10-13-20(17-21)28(37)38/h5-17,26H,4,18H2,1-3H3,(H,37,38)(H2,31,33,39)