tert-butyl-[1-[(8-methoxy-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamic acid

Systemtic Name: tert-butyl-[1-[(8-methoxy-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamic acid Openeye Name: [1-benzyl-2-[(8-methoxy-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-2-oxo-ethyl]-tert-butyl-carbamic acid CAS Name: tert-butyl-[1-[(8-methoxy-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid IUPAC Name: tert-butyl-[1-[(8-methoxy-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid Traditional Name: [1-benzyl-2-keto-2-[(2-keto-8-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]ethyl]-tert-butyl-carbamic acid Formula: C31H34N4O5 MolecularWeight: 542.62546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(CC1=CC=CC=C1)C(=O)NC2C(=O)N(C3=C(C=CC(=C3)OC)C(=N2)C4=CC=CC=C4)C)C(=O)O

Isomeric SMILES

CC(C)(C)N(C(CC1=CC=CC=C1)C(=O)NC2C(=O)N(C3=C(C=CC(=C3)OC)C(=N2)C4=CC=CC=C4)C)C(=O)O

InChI

InChI=1S/C31H34N4O5/c1-31(2,3)35(30(38)39)25(18-20-12-8-6-9-13-20)28(36)33-27-29(37)34(4)24-19-22(40-5)16-17-23(24)26(32-27)21-14-10-7-11-15-21/h6-17,19,25,27H,18H2,1-5H3,(H,33,36)(H,38,39)