1-[2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxy-propanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxy-propanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[3-benzyloxy-2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]propanoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[2-[[2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylmethoxypropyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxypropanoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[3-benzoxy-2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]propanoyl]-4-phenyl-isonipecotic acid Formula: C31H41N3O7 MolecularWeight: 567.67314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H41N3O7/c1-29(2,3)41-28(39)33-30(4,5)26(36)32-24(21-40-20-22-12-8-6-9-13-22)25(35)34-18-16-31(17-19-34,27(37)38)23-14-10-7-11-15-23/h6-15,24H,16-21H2,1-5H3,(H,32,36)(H,33,39)(H,37,38)