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

Systemtic Name: (2S)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2R)-2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2R)-2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxypropanoyl]amino]-4-(methylthio)butyrate Formula: C22H28NO6S- MolecularWeight: 434.52582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)O[C@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C22H29NO6S/c1-5-6-7-15-12-19(24)29-20-13(2)18(9-8-16(15)20)28-14(3)21(25)23-17(22(26)27)10-11-30-4/h8-9,12,14,17H,5-7,10-11H2,1-4H3,(H,23,25)(H,26,27)/p-1/t14-,17+/m1/s1