1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[(2S)-2-acetamido-6-amino-1-oxohexyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-acetamido-6-aminohexanoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-isonipecotic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCCCN)C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H29N3O4/c1-15(24)22-17(9-5-6-12-21)18(25)23-13-10-20(11-14-23,19(26)27)16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-14,21H2,1H3,(H,22,24)(H,26,27)/t17-/m0/s1