(2S)-2-azanyl-N-[1-[(4-tert-butylphenyl)methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: (2S)-2-azanyl-N-[1-[(4-tert-butylphenyl)methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: (2S)-2-amino-N-[1-[(4-tert-butylphenyl)methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: (2S)-2-amino-N-[1-[(4-tert-butylphenyl)methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: (2S)-2-amino-N-[1-[(4-tert-butylphenyl)methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: (2S)-2-amino-N-[1-(4-tert-butylbenzyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC=C(C=C4)C(C)(C)C)N

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC=C(C=C4)C(C)(C)C)N

InChI

InChI=1S/C29H32N4O2/c1-19(30)27(34)32-26-28(35)33(18-20-14-16-22(17-15-20)29(2,3)4)24-13-9-8-12-23(24)25(31-26)21-10-6-5-7-11-21/h5-17,19,26H,18,30H2,1-4H3,(H,32,34)/t19-,26?/m0/s1