3-oxidanylidene-2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]-3-(prop-2-ynylamino)propanoic acid

Systemtic Name: 3-oxidanylidene-2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]-3-(prop-2-ynylamino)propanoic acid Openeye Name: 3-oxo-2-[[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]methyl]-3-(prop-2-ynylamino)propanoic acid CAS Name: 3-oxo-2-[[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]methyl]-3-(prop-2-ynylamino)propanoic acid IUPAC Name: 3-oxo-2-[[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]methyl]-3-(prop-2-ynylamino)propanoic acid Traditional Name: 3-keto-2-[[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]methyl]-3-(propargylamino)propionic acid Formula: C21H32N4O5 MolecularWeight: 420.50258

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)O

Isomeric SMILES

C#CCNC(=O)C(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)O

InChI

InChI=1S/C21H32N4O5/c1-2-9-23-20(28)17(21(29)30)13-24-19(27)16-4-3-12-25(14-16)18(26)6-5-15-7-10-22-11-8-15/h1,15-17,22H,3-14H2,(H,23,28)(H,24,27)(H,29,30)