2-[2-[2-(phenylcarbonylsulfanyl)ethanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[2-(phenylcarbonylsulfanyl)ethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(2-benzoylsulfanylacetyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-(benzoylthio)-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(2-benzoylsulfanylacetyl)amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-(benzoylthio)acetyl]amino]acetyl]amino]acetic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C13H14N2O5S/c16-10(15-7-12(18)19)6-14-11(17)8-21-13(20)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,17)(H,15,16)(H,18,19)