3-[[tert-butyl-[1-(carboxymethyl)-5-cyclohexyl-8-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]amino]benzoic acid

Systemtic Name: 3-[[tert-butyl-[1-(carboxymethyl)-5-cyclohexyl-8-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]amino]benzoic acid Openeye Name: 3-[[tert-butyl-[1-(carboxymethyl)-5-cyclohexyl-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]amino]benzoic acid CAS Name: 3-[[[tert-butyl-[1-(carboxymethyl)-5-cyclohexyl-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[tert-butyl-[1-(carboxymethyl)-5-cyclohexyl-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]amino]benzoic acid Traditional Name: 3-[[tert-butyl-[1-(carboxymethyl)-5-cyclohexyl-2-keto-8-methyl-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]amino]benzoic acid Formula: C31H39N3O6 MolecularWeight: 549.65786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)N(C(=O)NC3=CC=CC(=C3)C(=O)O)C(C)(C)C)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)N(C(=O)NC3=CC=CC(=C3)C(=O)O)C(C)(C)C)C4CCCCC4

InChI

InChI=1S/C31H39N3O6/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-26(28(37)33(18-27(35)36)25(23)15-19)34(31(2,3)4)30(40)32-22-12-8-11-21(16-22)29(38)39/h8,11-16,20,24,26H,5-7,9-10,17-18H2,1-4H3,(H,32,40)(H,35,36)(H,38,39)