(3S)-3-acetamido-3-[[(3S)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: (3S)-3-acetamido-3-[[(3S)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: (3S)-3-acetamido-3-[[(3S)-1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: (3S)-3-acetamido-3-[[oxo-[(3S)-1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: (3S)-3-acetamido-3-[[(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: (3S)-3-acetamido-3-[[(3S)-1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C19H32N4O5 MolecularWeight: 396.48118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)NC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)O)NC(=O)[C@H]1CCCN(C1)C(=O)CCC2CCNCC2

InChI

InChI=1S/C19H32N4O5/c1-13(24)21-16(11-18(26)27)22-19(28)15-3-2-10-23(12-15)17(25)5-4-14-6-8-20-9-7-14/h14-16,20H,2-12H2,1H3,(H,21,24)(H,22,28)(H,26,27)/t15-,16-/m0/s1