3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-4-phenylmethoxycarbonyl-3-piperazin-1-yl-piperidine-4-carboxylic acid

Systemtic Name: 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-4-phenylmethoxycarbonyl-3-piperazin-1-yl-piperidine-4-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-tert-butoxycarbonyl-3-methyl-2-oxo-3-piperazin-1-yl-piperidine-4-carboxylic acid CAS Name: 3-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-4-phenylmethoxycarbonyl-3-(1-piperazinyl)-4-piperidinecarboxylic acid IUPAC Name: 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-4-phenylmethoxycarbonyl-3-piperazin-1-ylpiperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-carbobenzoxy-2-keto-3-methyl-3-piperazino-isonipecotic acid Formula: C24H33N3O7 MolecularWeight: 475.53472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(CCC1(C(=O)O)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)N3CCNCC3

Isomeric SMILES

CC1(C(=O)N(CCC1(C(=O)O)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)N3CCNCC3

InChI

InChI=1S/C24H33N3O7/c1-22(2,3)34-21(32)27-13-10-24(19(29)30,20(31)33-16-17-8-6-5-7-9-17)23(4,18(27)28)26-14-11-25-12-15-26/h5-9,25H,10-16H2,1-4H3,(H,29,30)