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

Systemtic Name: (2S)-3-methyl-2-[[4-[(4-oxidanylpiperidin-1-yl)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[[4-[(4-hydroxy-1-piperidyl)methyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[4-[(4-hydroxy-1-piperidinyl)methyl]phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[4-[(4-hydroxypiperidino)methyl]benzoyl]amino]-3-methyl-butyric acid Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-12(2)16(18(23)24)19-17(22)14-5-3-13(4-6-14)11-20-9-7-15(21)8-10-20/h3-6,12,15-16,21H,7-11H2,1-2H3,(H,19,22)(H,23,24)/t16-/m0/s1