3-[2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxidanylidene-ethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxidanylidene-ethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxo-ethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[5-cyclohexyl-1-(2-cyclopentyl-2-keto-ethyl)-2-keto-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid Formula: C30H34N4O5 MolecularWeight: 530.61476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC(=O)C4CCCC4)CC(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC(=O)C4CCCC4)CC(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C30H34N4O5/c35-26(20-9-4-5-10-20)18-33-25-16-7-6-15-24(25)28(21-11-2-1-3-12-21)32-34(30(33)39)19-27(36)31-23-14-8-13-22(17-23)29(37)38/h6-8,13-17,20-21H,1-5,9-12,18-19H2,(H,31,36)(H,37,38)