3-azanyl-3-[[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-azanyl-3-[[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-amino-3-[[1-[3-(1-benzyloxycarbonyl-4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-amino-3-[[oxo-[1-[1-oxo-3-(1-phenylmethoxycarbonyl-4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-amino-3-[[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-amino-3-[[1-[3-(1-carbobenzoxy-4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C25H36N4O6 MolecularWeight: 488.57654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)NC(CC(=O)O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)NC(CC(=O)O)N

InChI

InChI=1S/C25H36N4O6/c26-21(15-23(31)32)27-24(33)20-7-4-12-29(16-20)22(30)9-8-18-10-13-28(14-11-18)25(34)35-17-19-5-2-1-3-6-19/h1-3,5-6,18,20-21H,4,7-17,26H2,(H,27,33)(H,31,32)