(3S)-5-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]pent-4-ynoic acid

Systemtic Name: (3S)-5-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]pent-4-ynoic acid Openeye Name: (3S)-5-phenyl-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]pent-4-ynoic acid CAS Name: (3S)-3-[[oxo-[(3R)-1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]-5-phenyl-4-pentynoic acid IUPAC Name: (3S)-5-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]pent-4-ynoic acid Traditional Name: (3S)-5-phenyl-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]pent-4-ynoic acid Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC(CC(=O)O)C#CC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CCC2CCNCC2)C(=O)N[C@@H](CC(=O)O)C#CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4/c29-23(11-9-20-12-14-26-15-13-20)28-16-4-7-21(18-28)25(32)27-22(17-24(30)31)10-8-19-5-2-1-3-6-19/h1-3,5-6,20-22,26H,4,7,9,11-18H2,(H,27,32)(H,30,31)/t21-,22-/m1/s1