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

Systemtic Name: methyl 2-[3-[[1-(2-cyclopentyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]ethanoate Openeye Name: methyl 2-[3-[[1-(2-cyclopentyl-2-oxo-ethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetate 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 methyl ester IUPAC Name: methyl 2-[3-[[1-(2-cyclopentyl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetate Traditional Name: 2-[3-[[1-(2-cyclopentyl-2-keto-ethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetic acid methyl ester Formula: C32H32N4O5 MolecularWeight: 552.62028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5CCCC5

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5CCCC5

InChI

InChI=1S/C32H32N4O5/c1-41-28(38)19-21-10-9-15-24(18-21)33-32(40)35-30-31(39)36(20-27(37)22-11-5-6-12-22)26-17-8-7-16-25(26)29(34-30)23-13-3-2-4-14-23/h2-4,7-10,13-18,22,30H,5-6,11-12,19-20H2,1H3,(H2,33,35,40)