(2S)-2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[4-(4-methyl-1-piperidyl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[4-(4-methyl-1-piperidinyl)anilino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[4-(4-methylpiperidino)phenyl]carbamoylamino]-4-(methylthio)butyric acid Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C18H27N3O3S/c1-13-7-10-21(11-8-13)15-5-3-14(4-6-15)19-18(24)20-16(17(22)23)9-12-25-2/h3-6,13,16H,7-12H2,1-2H3,(H,22,23)(H2,19,20,24)/t16-/m0/s1