tert-butyl (2R)-2-[(3R)-3-azanyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]-5,5-dimethyl-azepane-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[(3R)-3-azanyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]-5,5-dimethyl-azepane-1-carboxylate Openeye Name: tert-butyl (2R)-2-[(3R)-3-amino-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]-5,5-dimethyl-azepane-1-carboxylate CAS Name: (2R)-2-[(3R)-3-amino-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]-5,5-dimethyl-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(3R)-3-amino-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]-5,5-dimethylazepane-1-carboxylate Traditional Name: (2R)-2-[(3R)-3-amino-2-keto-1-methyl-3H-1,4-benzodiazepin-5-yl]-5,5-dimethyl-azepane-1-carboxylic acid tert-butyl ester Formula: C23H34N4O3 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(N(CC1)C(=O)OC(C)(C)C)C2=NC(C(=O)N(C3=CC=CC=C32)C)N)C

Isomeric SMILES

CC1(CC[C@@H](N(CC1)C(=O)OC(C)(C)C)C2=N[C@H](C(=O)N(C3=CC=CC=C32)C)N)C

InChI

InChI=1S/C23H34N4O3/c1-22(2,3)30-21(29)27-14-13-23(4,5)12-11-17(27)18-15-9-7-8-10-16(15)26(6)20(28)19(24)25-18/h7-10,17,19H,11-14,24H2,1-6H3/t17-,19-/m1/s1