1-[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidin-4-yl]carbonylazetidine-3-carboxylic acid

Systemtic Name: 1-[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidin-4-yl]carbonylazetidine-3-carboxylic acid Openeye Name: 1-[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-piperidine-4-carbonyl]azetidine-3-carboxylic acid CAS Name: 1-[[1-[(2S)-2-acetamido-6-amino-1-oxohexyl]-4-phenyl-4-piperidinyl]-oxomethyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[1-[(2S)-2-acetamido-6-aminohexanoyl]-4-phenylpiperidine-4-carbonyl]azetidine-3-carboxylic acid Traditional Name: 1-[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-isonipecotoyl]azetidine-3-carboxylic acid Formula: C24H34N4O5 MolecularWeight: 458.55056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CC(C3)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCCCN)C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CC(C3)C(=O)O

InChI

InChI=1S/C24H34N4O5/c1-17(29)26-20(9-5-6-12-25)21(30)27-13-10-24(11-14-27,19-7-3-2-4-8-19)23(33)28-15-18(16-28)22(31)32/h2-4,7-8,18,20H,5-6,9-16,25H2,1H3,(H,26,29)(H,31,32)/t20-/m0/s1