(2S)-2-[(1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(1-ethyl-4-keto-7-methyl-1,8-naphthyridine-3-carbonyl)amino]-4-(methylthio)butyric acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C17H21N3O4S/c1-4-20-9-12(14(21)11-6-5-10(2)18-15(11)20)16(22)19-13(17(23)24)7-8-25-3/h5-6,9,13H,4,7-8H2,1-3H3,(H,19,22)(H,23,24)/t13-/m0/s1