2-[(2-benzamido-3-sulfo-propanoyl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(2-benzamido-3-sulfo-propanoyl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(2-benzamido-3-sulfo-propanoyl)amino]-3-sulfanyl-propanoic acid CAS Name: 2-[(2-benzamido-1-oxo-3-sulfopropyl)amino]-3-mercaptopropanoic acid IUPAC Name: 2-[(2-benzamido-3-sulfopropanoyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(2-benzamido-3-sulfo-propanoyl)amino]-3-mercapto-propionic acid Formula: C13H16N2O7S2 MolecularWeight: 376.40534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)O)C(=O)NC(CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)O)C(=O)NC(CS)C(=O)O

InChI

InChI=1S/C13H16N2O7S2/c16-11(8-4-2-1-3-5-8)15-10(7-24(20,21)22)12(17)14-9(6-23)13(18)19/h1-5,9-10,23H,6-7H2,(H,14,17)(H,15,16)(H,18,19)(H,20,21,22)