(2S)-2-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C17H19NO6S/c1-9-11-4-3-10(19)7-14(11)24-17(23)12(9)8-15(20)18-13(16(21)22)5-6-25-2/h3-4,7,13,19H,5-6,8H2,1-2H3,(H,18,20)(H,21,22)/t13-/m0/s1