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

Systemtic Name: 2-[(2-azanyl-2-methyl-propanoyl)amino]-4-phenyl-3-phenylmethoxy-1-propanoyl-piperidine-4-carboxylic acid Openeye Name: 2-[(2-amino-2-methyl-propanoyl)amino]-3-benzyloxy-4-phenyl-1-propanoyl-piperidine-4-carboxylic acid CAS Name: 2-[(2-amino-2-methyl-1-oxopropyl)amino]-1-(1-oxopropyl)-4-phenyl-3-phenylmethoxy-4-piperidinecarboxylic acid IUPAC Name: 2-[(2-amino-2-methylpropanoyl)amino]-4-phenyl-3-phenylmethoxy-1-propanoylpiperidine-4-carboxylic acid Traditional Name: 2-[(2-amino-2-methyl-propanoyl)amino]-3-benzoxy-4-phenyl-1-propionyl-isonipecotic acid Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5/c1-4-20(30)29-16-15-26(24(32)33,19-13-9-6-10-14-19)21(22(29)28-23(31)25(2,3)27)34-17-18-11-7-5-8-12-18/h5-14,21-22H,4,15-17,27H2,1-3H3,(H,28,31)(H,32,33)