(2R)-3-[3,4-bis(oxidanyl)phenyl]-2-(carbamothioylamino)propanoate

Systemtic Name: (2R)-3-[3,4-bis(oxidanyl)phenyl]-2-(carbamothioylamino)propanoate Openeye Name: (2R)-2-(carbamothioylamino)-3-(3,4-dihydroxyphenyl)propanoate CAS Name: (2R)-2-(carbamothioylamino)-3-(3,4-dihydroxyphenyl)propanoate IUPAC Name: (2R)-2-(carbamothioylamino)-3-(3,4-dihydroxyphenyl)propanoate Traditional Name: (2R)-3-(3,4-dihydroxyphenyl)-2-thioureido-propionate Formula: C10H11N2O4S- MolecularWeight: 255.27034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)[O-])NC(=S)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1C[C@H](C(=O)[O-])NC(=S)N)O)O

InChI

InChI=1S/C10H12N2O4S/c11-10(17)12-6(9(15)16)3-5-1-2-7(13)8(14)4-5/h1-2,4,6,13-14H,3H2,(H,15,16)(H3,11,12,17)/p-1/t6-/m1/s1