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

Systemtic Name: tert-butyl (2R)-5,5-dimethyl-2-[(3R)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-1-propyl-3H-1,4-benzodiazepin-5-yl]azepane-1-carboxylate Openeye Name: tert-butyl (2R)-2-[(3R)-3-(benzyloxycarbonylamino)-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl]-5,5-dimethyl-azepane-1-carboxylate CAS Name: (2R)-5,5-dimethyl-2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)-1-propyl-3H-1,4-benzodiazepin-5-yl]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-5,5-dimethyl-2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)-1-propyl-3H-1,4-benzodiazepin-5-yl]azepane-1-carboxylate Traditional Name: (2R)-2-[(3R)-3-(benzyloxycarbonylamino)-2-keto-1-propyl-3H-1,4-benzodiazepin-5-yl]-5,5-dimethyl-azepane-1-carboxylic acid tert-butyl ester Formula: C33H44N4O5 MolecularWeight: 576.72626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4CCC(CCN4C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)OCC3=CC=CC=C3)[C@H]4CCC(CCN4C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C33H44N4O5/c1-7-20-36-25-16-12-11-15-24(25)27(26-17-18-33(5,6)19-21-37(26)31(40)42-32(2,3)4)34-28(29(36)38)35-30(39)41-22-23-13-9-8-10-14-23/h8-16,26,28H,7,17-22H2,1-6H3,(H,35,39)/t26-,28+/m1/s1