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

Systemtic Name: 2-[(2-azanyl-2-methyl-propanoyl)amino]-3-phenylmethoxy-1-propanoyl-piperidine-4-carboxylic acid Openeye Name: 2-[(2-amino-2-methyl-propanoyl)amino]-3-benzyloxy-1-propanoyl-piperidine-4-carboxylic acid CAS Name: 2-[(2-amino-2-methyl-1-oxopropyl)amino]-1-(1-oxopropyl)-3-phenylmethoxy-4-piperidinecarboxylic acid IUPAC Name: 2-[(2-amino-2-methylpropanoyl)amino]-3-phenylmethoxy-1-propanoylpiperidine-4-carboxylic acid Traditional Name: 2-[(2-amino-2-methyl-propanoyl)amino]-3-benzoxy-1-propionyl-isonipecotic acid Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5/c1-4-15(24)23-11-10-14(18(25)26)16(17(23)22-19(27)20(2,3)21)28-12-13-8-6-5-7-9-13/h5-9,14,16-17H,4,10-12,21H2,1-3H3,(H,22,27)(H,25,26)