2-[3-[[1-(2-cyclopentyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[1-(2-cyclopentyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[[1-(2-cyclopentyl-2-oxo-ethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetic acid CAS Name: 2-[3-[[[[1-(2-cyclopentyl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[[1-(2-cyclopentyl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetic acid Traditional Name: 2-[3-[[1-(2-cyclopentyl-2-keto-ethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetic acid Formula: C31H30N4O5 MolecularWeight: 538.5937

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)CC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)CC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O5/c36-26(21-10-4-5-11-21)19-35-25-16-7-6-15-24(25)28(22-12-2-1-3-13-22)33-29(30(35)39)34-31(40)32-23-14-8-9-20(17-23)18-27(37)38/h1-3,6-9,12-17,21,29H,4-5,10-11,18-19H2,(H,37,38)(H2,32,34,40)