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

Systemtic Name: tert-butyl N-[(2S)-1-[(1-methyl-2-oxidanylidene-4-phenyl-3H-1,5-benzodiazepin-3-yl)amino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(1-methyl-2-oxo-4-phenyl-3H-1,5-benzodiazepin-3-yl)carbamoyl]pentyl]carbamate CAS Name: N-[(2S)-1-[(1-methyl-2-oxo-4-phenyl-3H-1,5-benzodiazepin-3-yl)amino]-1-oxohexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(1-methyl-2-oxo-4-phenyl-3H-1,5-benzodiazepin-3-yl)amino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2-keto-1-methyl-4-phenyl-3H-1,5-benzodiazepin-3-yl)carbamoyl]pentyl]carbamic acid tert-butyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1C(=NC2=CC=CC=C2N(C1=O)C)C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC[C@@H](C(=O)NC1C(=NC2=CC=CC=C2N(C1=O)C)C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N4O4/c1-6-7-15-20(29-26(34)35-27(2,3)4)24(32)30-23-22(18-13-9-8-10-14-18)28-19-16-11-12-17-21(19)31(5)25(23)33/h8-14,16-17,20,23H,6-7,15H2,1-5H3,(H,29,34)(H,30,32)/t20-,23?/m0/s1