2-[1-methyl-7-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonylamino]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[1-methyl-7-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonylamino]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-[[4-[(tert-butoxycarbonylamino)methyl]benzoyl]amino]-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[1-methyl-7-[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[1-methyl-7-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[[4-[(tert-butoxycarbonylamino)methyl]benzoyl]amino]-3-keto-1-methyl-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Formula: C33H37N4O6- MolecularWeight: 585.67008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C(C(=O)N(C3)CCC4=CC=CC=C4)CC(=O)[O-])C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C(C(=O)N(C3)CCC4=CC=CC=C4)CC(=O)[O-])C

InChI

InChI=1S/C33H38N4O6/c1-33(2,3)43-32(42)34-20-23-10-12-24(13-11-23)30(40)35-26-14-15-27-25(18-26)21-37(17-16-22-8-6-5-7-9-22)31(41)28(36(27)4)19-29(38)39/h5-15,18,28H,16-17,19-21H2,1-4H3,(H,34,42)(H,35,40)(H,38,39)/p-1