(2R)-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-[(R)-methylsulfinyl]butanoate

Systemtic Name: (2R)-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-[(R)-methylsulfinyl]butanoate Openeye Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-4-[(R)-methylsulfinyl]butanoate CAS Name: (2R)-2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-4-[(R)-methylsulfinyl]butanoate IUPAC Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-[(R)-methylsulfinyl]butanoate Traditional Name: (2R)-2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]-4-[(R)-methylsulfinyl]butyrate Formula: C18H20NO7S- MolecularWeight: 394.4189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC(CCS(=O)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N[C@H](CC[S@](=O)C)C(=O)[O-]

InChI

InChI=1S/C18H21NO7S/c1-10-12-4-3-11(20)9-15(12)26-18(24)13(10)5-6-16(21)19-14(17(22)23)7-8-27(2)25/h3-4,9,14,20H,5-8H2,1-2H3,(H,19,21)(H,22,23)/p-1/t14-,27-/m1/s1