benzoic acid; 2-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: benzoic acid; 2-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]ethanoic acid Openeye Name: benzoic acid; 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid CAS Name: benzoic acid; 2-[[2-[[2-[(2-mercapto-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: benzoic acid; 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid Traditional Name: benzoic acid; 2-[[2-[[2-[(2-mercaptoacetyl)amino]acetyl]amino]acetyl]amino]acetic acid Formula: C15H19N3O7S MolecularWeight: 385.39226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C(C(=O)NCC(=O)O)NC(=O)CNC(=O)CS

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C(C(=O)NCC(=O)O)NC(=O)CNC(=O)CS

InChI

InChI=1S/C8H13N3O5S.C7H6O2/c12-5(2-10-7(14)4-17)9-1-6(13)11-3-8(15)16;8-7(9)6-4-2-1-3-5-6/h17H,1-4H2,(H,9,12)(H,10,14)(H,11,13)(H,15,16);1-5H,(H,8,9)