(2S)-2-azanyl-1-[2,5-bis(oxidanyl)phenyl]-3-sulfanyl-propan-1-one

Systemtic Name: (2S)-2-azanyl-1-[2,5-bis(oxidanyl)phenyl]-3-sulfanyl-propan-1-one Openeye Name: (2S)-2-amino-1-(2,5-dihydroxyphenyl)-3-sulfanyl-propan-1-one CAS Name: (2S)-2-amino-1-(2,5-dihydroxyphenyl)-3-mercapto-1-propanone IUPAC Name: (2S)-2-amino-1-(2,5-dihydroxyphenyl)-3-sulfanylpropan-1-one Traditional Name: (2S)-2-amino-1-(2,5-dihydroxyphenyl)-3-mercapto-propan-1-one Formula: C9H11NO3S MolecularWeight: 213.25354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)C(=O)C(CS)N)O

Isomeric SMILES

C1=CC(=C(C=C1O)C(=O)[C@@H](CS)N)O

InChI

InChI=1S/C9H11NO3S/c10-7(4-14)9(13)6-3-5(11)1-2-8(6)12/h1-3,7,11-12,14H,4,10H2/t7-/m1/s1