(2S)-2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]amino]-4-(methylthio)butyric acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H23N3O4S/c1-26-11-8-14(17(22)23)20-18(24)21-9-6-12(7-10-21)16-19-13-4-2-3-5-15(13)25-16/h2-5,12,14H,6-11H2,1H3,(H,20,24)(H,22,23)/t14-/m0/s1