2-(acetamidomethyl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 2-(acetamidomethyl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-(acetamidomethyl)-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-(acetamidomethyl)-3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 2-(acetamidomethyl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-(acetamidomethyl)-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C20H34N4O5 MolecularWeight: 410.50776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)O

Isomeric SMILES

CC(=O)NCC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)O

InChI

InChI=1S/C20H34N4O5/c1-14(25)22-11-17(20(28)29)12-23-19(27)16-3-2-10-24(13-16)18(26)5-4-15-6-8-21-9-7-15/h15-17,21H,2-13H2,1H3,(H,22,25)(H,23,27)(H,28,29)