(2S)-3-methyl-2-[[3-[(4-oxidanyl-4-phenyl-piperidin-1-yl)methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[3-[(4-oxidanyl-4-phenyl-piperidin-1-yl)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[[3-[(4-hydroxy-4-phenyl-1-piperidyl)methyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[3-[(4-hydroxy-4-phenyl-1-piperidinyl)methyl]phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]benzoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[3-[(4-hydroxy-4-phenyl-piperidino)methyl]benzoyl]amino]-3-methyl-butyric acid Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=CC=C1)CN2CCC(CC2)(C3=CC=CC=C3)O

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=CC=C1)CN2CCC(CC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C24H30N2O4/c1-17(2)21(23(28)29)25-22(27)19-8-6-7-18(15-19)16-26-13-11-24(30,12-14-26)20-9-4-3-5-10-20/h3-10,15,17,21,30H,11-14,16H2,1-2H3,(H,25,27)(H,28,29)/t21-/m0/s1