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

Systemtic Name: 3-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[(2S)-2-acetamido-6-amino-1-oxohexyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(2S)-2-acetamido-6-aminohexanoyl]-4-phenylpiperidine-4-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-isonipecotoyl]amino]propionic acid Formula: C23H34N4O5 MolecularWeight: 446.53986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O5/c1-17(28)26-19(9-5-6-13-24)21(31)27-15-11-23(12-16-27,18-7-3-2-4-8-18)22(32)25-14-10-20(29)30/h2-4,7-8,19H,5-6,9-16,24H2,1H3,(H,25,32)(H,26,28)(H,29,30)/t19-/m0/s1