tert-butyl 1-[5-methyl-4-oxidanylidene-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]piperidine-4-carboxylate

Systemtic Name: tert-butyl 1-[5-methyl-4-oxidanylidene-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]piperidine-4-carboxylate Openeye Name: tert-butyl 1-[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-methyl-4-oxo-7-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3,1-benzoxazin-2-yl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[5-methyl-4-oxo-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-5-methyl-3,1-benzoxazin-2-yl]isonipecotic acid tert-butyl ester Formula: C36H40N4O7 MolecularWeight: 640.7254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)OC(=N2)N3CCC(CC3)C(=O)OC(C)(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)OC(=N2)N3CCC(CC3)C(=O)OC(C)(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C36H40N4O7/c1-23-19-27(21-28-30(23)33(43)46-34(38-28)40-17-15-26(16-18-40)32(42)47-36(2,3)4)37-31(41)29(20-24-11-7-5-8-12-24)39-35(44)45-22-25-13-9-6-10-14-25/h5-14,19,21,26,29H,15-18,20,22H2,1-4H3,(H,37,41)(H,39,44)