ethyl 3-[1-methyl-7-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-2,5-bis(oxidanylidene)-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate

Systemtic Name: ethyl 3-[1-methyl-7-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-2,5-bis(oxidanylidene)-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-[7-[5-(tert-butoxycarbonylamino)pentyl]-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate CAS Name: 3-[1-methyl-7-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[1-methyl-7-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate Traditional Name: 3-[7-[5-(tert-butoxycarbonylamino)pentyl]-2,5-diketo-1-methyl-3-phenyl-3H-1,4-benzodiazepin-4-yl]butyric acid ethyl ester Formula: C32H43N3O6 MolecularWeight: 565.70032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCNC(=O)OC(C)(C)C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCNC(=O)OC(C)(C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C32H43N3O6/c1-7-40-27(36)20-22(2)35-28(24-15-11-8-12-16-24)30(38)34(6)26-18-17-23(21-25(26)29(35)37)14-10-9-13-19-33-31(39)41-32(3,4)5/h8,11-12,15-18,21-22,28H,7,9-10,13-14,19-20H2,1-6H3,(H,33,39)