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

Systemtic Name: 2-[2-[2-[2-(phenylcarbonylsulfanyl)ethanoylamino]ethanoylamino]ethanoylamino]ethanesulfonic acid Openeye Name: 2-[[2-[[2-[(2-benzoylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]ethanesulfonic acid CAS Name: 2-[[2-[[2-[[2-(benzoylthio)-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-[[2-[(2-benzoylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-[[2-[[2-(benzoylthio)acetyl]amino]acetyl]amino]acetyl]amino]ethanesulfonic acid Formula: C15H19N3O7S2 MolecularWeight: 417.45726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O7S2/c19-12(16-6-7-27(23,24)25)8-17-13(20)9-18-14(21)10-26-15(22)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,19)(H,17,20)(H,18,21)(H,23,24,25)