[2-azanyl-8-[2-bromanyl-1-[(2,5-dimethylphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-oxidanylidene-3,1-benzoxazin-6-yl] N-tert-butylcarbamate

Systemtic Name: [2-azanyl-8-[2-bromanyl-1-[(2,5-dimethylphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-oxidanylidene-3,1-benzoxazin-6-yl] N-tert-butylcarbamate Openeye Name: [2-amino-8-[1-benzyl-1-bromo-2-[(2,5-dimethylphenyl)methylamino]-2-oxo-ethyl]-4-oxo-3,1-benzoxazin-6-yl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [2-amino-8-[2-bromo-1-[(2,5-dimethylphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-oxo-3,1-benzoxazin-6-yl] ester IUPAC Name: [2-amino-8-[2-bromo-1-[(2,5-dimethylphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-oxo-3,1-benzoxazin-6-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [2-amino-8-[1-benzyl-1-bromo-2-[(2,5-dimethylbenzyl)amino]-2-keto-ethyl]-4-keto-3,1-benzoxazin-6-yl] ester Formula: C31H33BrN4O5 MolecularWeight: 621.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CNC(=O)C(CC2=CC=CC=C2)(C3=C4C(=CC(=C3)OC(=O)NC(C)(C)C)C(=O)OC(=N4)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)CNC(=O)C(CC2=CC=CC=C2)(C3=C4C(=CC(=C3)OC(=O)NC(C)(C)C)C(=O)OC(=N4)N)Br

InChI

InChI=1S/C31H33BrN4O5/c1-18-11-12-19(2)21(13-18)17-34-27(38)31(32,16-20-9-7-6-8-10-20)24-15-22(40-29(39)36-30(3,4)5)14-23-25(24)35-28(33)41-26(23)37/h6-15H,16-17H2,1-5H3,(H2,33,35)(H,34,38)(H,36,39)