(2S)-2-azanyl-N-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: (2S)-2-azanyl-N-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: (2S)-2-amino-N-[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: (2S)-2-amino-N-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: (2S)-2-amino-N-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: (2S)-2-amino-N-[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)CC(=O)C(C)(C)C)N

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)CC(=O)C(C)(C)C)N

InChI

InChI=1S/C23H27N5O3/c1-14(24)21(30)27-20-22(31)28(13-18(29)23(2,3)4)17-11-6-5-9-15(17)19(26-20)16-10-7-8-12-25-16/h5-12,14,20H,13,24H2,1-4H3,(H,27,30)/t14-,20?/m0/s1