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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(C(C1NC(=O)C(C)(C)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(=O)N1CCC(C(C1NC(=O)C(C)(C)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H41N3O7/c1-7-23(35)34-19-18-31(27(37)38,22-16-12-9-13-17-22)24(40-20-21-14-10-8-11-15-21)25(34)32-26(36)30(5,6)33-28(39)41-29(2,3)4/h8-17,24-25H,7,18-20H2,1-6H3,(H,32,36)(H,33,39)(H,37,38)