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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)O)N

Isomeric SMILES

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)O)N

InChI

InChI=1S/C20H29N3O5/c1-20(2,21)19(27)22-16(13-28-12-14-6-4-3-5-7-14)17(24)23-10-8-15(9-11-23)18(25)26/h3-7,15-16H,8-13,21H2,1-2H3,(H,22,27)(H,25,26)