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

Systemtic Name: 2-(benzamidomethyl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-(benzamidomethyl)-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-(benzamidomethyl)-3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 2-(benzamidomethyl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-(benzamidomethyl)-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C25H36N4O5 MolecularWeight: 472.57714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NCC(CNC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NCC(CNC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H36N4O5/c30-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(17-29)24(32)28-16-21(25(33)34)15-27-23(31)19-5-2-1-3-6-19/h1-3,5-6,18,20-21,26H,4,7-17H2,(H,27,31)(H,28,32)(H,33,34)