tert-butyl N-[(2S)-3-methyl-1-[(1-methyl-2-oxidanylidene-5-phenyl-3,4-dihydro-1,5-benzodiazepin-3-yl)amino]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-methyl-1-[(1-methyl-2-oxidanylidene-5-phenyl-3,4-dihydro-1,5-benzodiazepin-3-yl)amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-methyl-1-[(1-methyl-2-oxo-5-phenyl-3,4-dihydro-1,5-benzodiazepin-3-yl)carbamoyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-[(1-methyl-2-oxo-5-phenyl-3,4-dihydro-1,5-benzodiazepin-3-yl)amino]-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-methyl-1-[(1-methyl-2-oxo-5-phenyl-3,4-dihydro-1,5-benzodiazepin-3-yl)amino]-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2-keto-1-methyl-5-phenyl-3,4-dihydro-1,5-benzodiazepin-3-yl)carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CN(C2=CC=CC=C2N(C1=O)C)C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CN(C2=CC=CC=C2N(C1=O)C)C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H34N4O4/c1-17(2)22(28-25(33)34-26(3,4)5)23(31)27-19-16-30(18-12-8-7-9-13-18)21-15-11-10-14-20(21)29(6)24(19)32/h7-15,17,19,22H,16H2,1-6H3,(H,27,31)(H,28,33)/t19?,22-/m0/s1