(2S)-4-methylsulfanyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]amino]butanoic acid IUPAC Name: (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-4-(methylthio)butyric acid Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)N1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)N1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3S/c1-24-12-9-16(17(21)22)19-18(23)20-10-7-15(8-11-20)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,19,23)(H,21,22)/t16-/m0/s1