(2S)-2-[[4-[(4-oxidanylpiperidin-1-yl)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-[(4-oxidanylpiperidin-1-yl)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-[(4-hydroxy-1-piperidyl)methyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-[(4-hydroxy-1-piperidinyl)methyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-[(4-hydroxypiperidino)methyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CC2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1O)CC2=CC=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O4/c25-19-10-12-24(13-11-19)15-17-6-8-18(9-7-17)21(26)23-20(22(27)28)14-16-4-2-1-3-5-16/h1-9,19-20,25H,10-15H2,(H,23,26)(H,27,28)/t20-/m0/s1