3-[[(4-phenylphenyl)carbonylamino]-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid

Systemtic Name: 3-[[(4-phenylphenyl)carbonylamino]-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid Openeye Name: 3-[[(4-phenylbenzoyl)amino]-[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]-[[oxo-(4-phenylphenyl)methyl]amino]amino]propanoic acid IUPAC Name: 3-[[(4-phenylbenzoyl)amino]-[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[(4-phenylbenzoyl)amino]-[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C30H38N4O5 MolecularWeight: 534.64652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)N(CCC(=O)O)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)N(CCC(=O)O)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H38N4O5/c35-27(13-8-22-14-17-31-18-15-22)33-19-4-7-26(21-33)30(39)34(20-16-28(36)37)32-29(38)25-11-9-24(10-12-25)23-5-2-1-3-6-23/h1-3,5-6,9-12,22,26,31H,4,7-8,13-21H2,(H,32,38)(H,36,37)