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

Systemtic Name: 2-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-piperidine-4-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[(2S)-2-acetamido-6-amino-1-oxohexyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[(2S)-2-acetamido-6-aminohexanoyl]-4-phenylpiperidine-4-carbonyl]amino]acetic acid Traditional Name: 2-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-isonipecotoyl]amino]acetic acid Formula: C22H32N4O5 MolecularWeight: 432.51328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O5/c1-16(27)25-18(9-5-6-12-23)20(30)26-13-10-22(11-14-26,17-7-3-2-4-8-17)21(31)24-15-19(28)29/h2-4,7-8,18H,5-6,9-15,23H2,1H3,(H,24,31)(H,25,27)(H,28,29)/t18-/m0/s1