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

Systemtic Name: 2-(hexanoylamino)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-(hexanoylamino)-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-(1-oxohexylamino)-3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 2-(hexanoylamino)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-(caproylamino)-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C23H40N4O5 MolecularWeight: 452.5875

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)O

InChI

InChI=1S/C23H40N4O5/c1-2-3-4-7-20(28)26-19(23(31)32)15-25-22(30)18-6-5-14-27(16-18)21(29)9-8-17-10-12-24-13-11-17/h17-19,24H,2-16H2,1H3,(H,25,30)(H,26,28)(H,31,32)