2-[2-[2-[2-(3-carboxyphenyl)carbonylsulfanylethanoylamino]ethanoylamino]ethanoylamino]ethanoate

Systemtic Name: 2-[2-[2-[2-(3-carboxyphenyl)carbonylsulfanylethanoylamino]ethanoylamino]ethanoylamino]ethanoate Openeye Name: 2-[[2-[[2-[[2-(3-carboxybenzoyl)sulfanylacetyl]amino]acetyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[2-[[2-[[(3-carboxyphenyl)-oxomethyl]thio]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[[2-[[2-(3-carboxybenzoyl)sulfanylacetyl]amino]acetyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-[[2-[(3-carboxybenzoyl)thio]acetyl]amino]acetyl]amino]acetyl]amino]acetate Formula: C16H16N3O8S- MolecularWeight: 410.37854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)[O-])C(=O)O

InChI

InChI=1S/C16H17N3O8S/c20-11(17-5-12(21)19-7-14(23)24)6-18-13(22)8-28-16(27)10-3-1-2-9(4-10)15(25)26/h1-4H,5-8H2,(H,17,20)(H,18,22)(H,19,21)(H,23,24)(H,25,26)/p-1