2-[[(4-phenylphenyl)carbonylamino]-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid

Systemtic Name: 2-[[(4-phenylphenyl)carbonylamino]-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid Openeye Name: 2-[[(4-phenylbenzoyl)amino]-[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]-[[oxo-(4-phenylphenyl)methyl]amino]amino]propanoic acid IUPAC Name: 2-[[(4-phenylbenzoyl)amino]-[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-[[(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:

CC(C(=O)O)N(C(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)O)N(C(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H38N4O5/c1-21(30(38)39)34(32-28(36)25-12-10-24(11-13-25)23-6-3-2-4-7-23)29(37)26-8-5-19-33(20-26)27(35)14-9-22-15-17-31-18-16-22/h2-4,6-7,10-13,21-22,26,31H,5,8-9,14-20H2,1H3,(H,32,36)(H,38,39)