tert-butyl 2-[2-(2-aminocarbonyloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-phenethyl-1-propyl-5H-1,4-benzodiazepin-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(2-aminocarbonyloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-phenethyl-1-propyl-5H-1,4-benzodiazepin-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[2-(2-carbamoyloxy-2-oxo-ethyl)-3-oxo-4-phenethyl-1-propyl-5H-1,4-benzodiazepin-2-yl]piperidine-1-carboxylate CAS Name: 2-[2-(2-carbamoyloxy-2-oxoethyl)-3-oxo-4-phenethyl-1-propyl-5H-1,4-benzodiazepin-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(2-carbamoyloxy-2-oxoethyl)-3-oxo-4-phenethyl-1-propyl-5H-1,4-benzodiazepin-2-yl]piperidine-1-carboxylate Traditional Name: 2-[2-(2-carbamoyloxy-2-keto-ethyl)-3-keto-4-phenethyl-1-propyl-5H-1,4-benzodiazepin-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C33H44N4O6 MolecularWeight: 592.72566

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2CN(C(=O)C1(CC(=O)OC(=O)N)C3CCCCN3C(=O)OC(C)(C)C)CCC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=CC=CC=C2CN(C(=O)C1(CC(=O)OC(=O)N)C3CCCCN3C(=O)OC(C)(C)C)CCC4=CC=CC=C4

InChI

InChI=1S/C33H44N4O6/c1-5-19-37-26-16-10-9-15-25(26)23-35(21-18-24-13-7-6-8-14-24)29(39)33(37,22-28(38)42-30(34)40)27-17-11-12-20-36(27)31(41)43-32(2,3)4/h6-10,13-16,27H,5,11-12,17-23H2,1-4H3,(H2,34,40)