(2S)-2-[[(2R)-2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(2R)-2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2R)-2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2R)-2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2R)-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxypropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2R)-2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxypropanoyl]amino]-4-(methylthio)butyrate Formula: C21H26NO6S- MolecularWeight: 420.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)O[C@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C21H27NO6S/c1-5-6-14-11-18(23)28-19-12(2)17(8-7-15(14)19)27-13(3)20(24)22-16(21(25)26)9-10-29-4/h7-8,11,13,16H,5-6,9-10H2,1-4H3,(H,22,24)(H,25,26)/p-1/t13-,16+/m1/s1