(2S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2S)-3-benzylsulfanyl-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]propanoate CAS Name: (2S)-2-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2S)-3-benzylsulfanyl-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoate Traditional Name: (2S)-3-(benzylthio)-2-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]propionate Formula: C24H24NO6S- MolecularWeight: 454.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NC(CSCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@H](CSCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C24H25NO6S/c1-14-17-8-10-20(26)15(2)22(17)31-24(30)18(14)9-11-21(27)25-19(23(28)29)13-32-12-16-6-4-3-5-7-16/h3-8,10,19,26H,9,11-13H2,1-2H3,(H,25,27)(H,28,29)/p-1/t19-/m1/s1