tert-butyl 2-[2-oxidanyl-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]-1,2-diazinane-1-carboxylate

Systemtic Name: tert-butyl 2-[2-oxidanyl-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]-1,2-diazinane-1-carboxylate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)-2-hydroxy-4-phenyl-butyl]hexahydropyridazine-1-carboxylate CAS Name: 2-[2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]-1-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]diazinane-1-carboxylate Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-hydroxy-4-phenyl-butyl]hexahydropyridazine-1-carboxylic acid tert-butyl ester Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCN1CC(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCN1CC(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C27H37N3O5/c1-27(2,3)35-26(33)30-17-11-10-16-29(30)19-24(31)23(18-21-12-6-4-7-13-21)28-25(32)34-20-22-14-8-5-9-15-22/h4-9,12-15,23-24,31H,10-11,16-20H2,1-3H3,(H,28,32)