3-[[1-cyclohexyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[1-cyclohexyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-cyclohexyl-4-oxo-5-[2-oxo-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-cyclohexyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-cyclohexyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[1-cyclohexyl-4-keto-5-[2-keto-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C(=O)N(C3=CC=CC=C32)CC(=O)C4=CC=CS4)NC(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CC(C(=O)N(C3=CC=CC=C32)CC(=O)C4=CC=CS4)NC(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C29H30N4O5S/c34-25(26-14-7-15-39-26)18-33-24-13-5-4-12-23(24)32(21-10-2-1-3-11-21)17-22(27(33)35)31-29(38)30-20-9-6-8-19(16-20)28(36)37/h4-9,12-16,21-22H,1-3,10-11,17-18H2,(H,36,37)(H2,30,31,38)