(3R)-5-phenyl-3-[[(3R)-1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]pentanoic acid hydrochloride

Systemtic Name: (3R)-5-phenyl-3-[[(3R)-1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]pentanoic acid hydrochloride Openeye Name: (3R)-5-phenyl-3-[[(3R)-1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]pentanoic acid hydrochloride CAS Name: (3R)-3-[[oxo-[(3R)-1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]-5-phenylpentanoic acid hydrochloride IUPAC Name: (3R)-5-phenyl-3-[[(3R)-1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]pentanoic acid hydrochloride Traditional Name: (3R)-5-phenyl-3-[[(3R)-1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]valeric acid hydrochloride Formula: C25H36ClN3O4 MolecularWeight: 478.02404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2CCNCC2)C(=O)NC(CCC3=CC=CC=C3)CC(=O)O.Cl

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)/C=C/C2CCNCC2)C(=O)N[C@H](CCC3=CC=CC=C3)CC(=O)O.Cl

InChI

InChI=1S/C25H35N3O4.ClH/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;/h1-3,5-6,9,11,20-22,26H,4,7-8,10,12-18H2,(H,27,32)(H,30,31);1H/b11-9+;/t21-,22-;/m1./s1