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

Systemtic Name: (2S)-1-[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidin-4-yl]carbonylazetidine-2-carboxylic acid Openeye Name: (2S)-1-[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-piperidine-4-carbonyl]azetidine-2-carboxylic acid CAS Name: (2S)-1-[[1-[(2S)-2-acetamido-6-amino-1-oxohexyl]-4-phenyl-4-piperidinyl]-oxomethyl]-2-azetidinecarboxylic acid IUPAC Name: (2S)-1-[1-[(2S)-2-acetamido-6-aminohexanoyl]-4-phenylpiperidine-4-carbonyl]azetidine-2-carboxylic acid Traditional Name: (2S)-1-[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-isonipecotoyl]azetidine-2-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)N3CCC3C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCCCN)C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CC[C@H]3C(=O)O

InChI

InChI=1S/C24H34N4O5/c1-17(29)26-19(9-5-6-13-25)21(30)27-15-11-24(12-16-27,18-7-3-2-4-8-18)23(33)28-14-10-20(28)22(31)32/h2-4,7-8,19-20H,5-6,9-16,25H2,1H3,(H,26,29)(H,31,32)/t19-,20-/m0/s1