(2R)-2-acetamido-3-sulfanyl-propanoic acid; (4-azanyl-2-oxidanyl-phenyl)carbonyl 4-azanyl-2-oxidanyl-benzoate

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; (4-azanyl-2-oxidanyl-phenyl)carbonyl 4-azanyl-2-oxidanyl-benzoate Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; (4-amino-2-hydroxy-benzoyl) 4-amino-2-hydroxy-benzoate CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 4-amino-2-hydroxybenzoic acid [(4-amino-2-hydroxyphenyl)-oxomethyl] ester IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; (4-amino-2-hydroxybenzoyl) 4-amino-2-hydroxybenzoate Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; 4-amino-2-hydroxy-benzoic acid (4-amino-2-hydroxy-benzoyl) ester Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)O.C1=CC(=C(C=C1N)O)C(=O)OC(=O)C2=C(C=C(C=C2)N)O

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)O.C1=CC(=C(C=C1N)O)C(=O)OC(=O)C2=C(C=C(C=C2)N)O

InChI

InChI=1S/C14H12N2O5.C5H9NO3S/c15-7-1-3-9(11(17)5-7)13(19)21-14(20)10-4-2-8(16)6-12(10)18;1-3(7)6-4(2-10)5(8)9/h1-6,17-18H,15-16H2;4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;4-/m.0/s1