(2R)-2-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[2-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[2-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[2-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C24H25NO6S MolecularWeight: 455.5234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CCSC)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@H](CCSC)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C24H25NO6S/c1-15-18-9-8-17(30-14-22(26)25-20(23(27)28)10-11-32-2)13-21(18)31-24(29)19(15)12-16-6-4-3-5-7-16/h3-9,13,20H,10-12,14H2,1-2H3,(H,25,26)(H,27,28)/t20-/m1/s1