(2R)-2-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: (2R)-2-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]propanoic acid CAS Name: (2R)-2-[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid Traditional Name: (2R)-3-(benzylthio)-2-[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]propionic acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO6S/c1-13-16-8-7-15(24)9-19(16)29-22(28)17(13)10-20(25)23-18(21(26)27)12-30-11-14-5-3-2-4-6-14/h2-9,18,24H,10-12H2,1H3,(H,23,25)(H,26,27)/t18-/m0/s1