2-[3-(1H-indol-2-ylcarbonylamino)-6-oxidanylidene-11-propyl-benzo[b][1,4]benzodiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[3-(1H-indol-2-ylcarbonylamino)-6-oxidanylidene-11-propyl-benzo[b][1,4]benzodiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-(1H-indole-2-carbonylamino)-6-oxo-11-propyl-benzo[b][1,4]benzodiazepin-5-yl]acetic acid CAS Name: 2-[3-[[1H-indol-2-yl(oxo)methyl]amino]-6-oxo-11-propyl-5-benzo[b][1,4]benzodiazepinyl]acetic acid IUPAC Name: 2-[3-(1H-indole-2-carbonylamino)-6-oxo-11-propylbenzo[b][1,4]benzodiazepin-5-yl]acetic acid Traditional Name: 2-[3-(1H-indole-2-carbonylamino)-6-keto-11-propyl-benzo[b][1,4]benzodiazepin-5-yl]acetic acid Formula: C27H24N4O4 MolecularWeight: 468.50386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4N3)N(C(=O)C5=CC=CC=C51)CC(=O)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4N3)N(C(=O)C5=CC=CC=C51)CC(=O)O

InChI

InChI=1S/C27H24N4O4/c1-2-13-30-22-10-6-4-8-19(22)27(35)31(16-25(32)33)24-15-18(11-12-23(24)30)28-26(34)21-14-17-7-3-5-9-20(17)29-21/h3-12,14-15,29H,2,13,16H2,1H3,(H,28,34)(H,32,33)