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

Systemtic Name: 1-[5-methyl-4-oxidanylidene-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-methyl-4-oxo-7-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3,1-benzoxazin-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-methyl-4-oxo-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-5-methyl-3,1-benzoxazin-2-yl]isonipecotic acid Formula: C32H32N4O7 MolecularWeight: 584.61908

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H32N4O7/c1-20-16-24(18-25-27(20)30(40)43-31(34-25)36-14-12-23(13-15-36)29(38)39)33-28(37)26(17-21-8-4-2-5-9-21)35-32(41)42-19-22-10-6-3-7-11-22/h2-11,16,18,23,26H,12-15,17,19H2,1H3,(H,33,37)(H,35,41)(H,38,39)