(2R)-2-[2-(dimethylazaniumyl)ethanoylamino]-3-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate

Systemtic Name: (2R)-2-[2-(dimethylazaniumyl)ethanoylamino]-3-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: (2R)-2-[[2-(dimethylammonio)acetyl]amino]-3-[(6-methoxy-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: (2R)-2-[[2-(dimethylammonio)-1-oxoethyl]amino]-3-[(6-methoxy-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: (2R)-2-[[2-(dimethylazaniumyl)acetyl]amino]-3-(6-methoxy-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: (2R)-2-[[2-(dimethylammonio)acetyl]amino]-3-[(6-methoxy-2-methyl-4-quinolyl)thio]propionate Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(C(=O)[O-])NC(=O)C[NH+](C)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SC[C@@H](C(=O)[O-])NC(=O)C[NH+](C)C

InChI

InChI=1S/C18H23N3O4S/c1-11-7-16(13-8-12(25-4)5-6-14(13)19-11)26-10-15(18(23)24)20-17(22)9-21(2)3/h5-8,15H,9-10H2,1-4H3,(H,20,22)(H,23,24)/t15-/m0/s1