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

Systemtic Name: 2-[2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethanoylamino]ethanoylamino]ethanesulfonic acid Openeye Name: 2-[[2-[[2-[(2-benzylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]ethanesulfonic acid CAS Name: 2-[[1-oxo-2-[[1-oxo-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]ethyl]amino]ethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-[[2-[(2-benzylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-[[2-[[2-(benzylthio)acetyl]amino]acetyl]amino]acetyl]amino]ethanesulfonic acid Formula: C15H21N3O6S2 MolecularWeight: 403.47374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6S2/c19-13(16-6-7-26(22,23)24)8-17-14(20)9-18-15(21)11-25-10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,19)(H,17,20)(H,18,21)(H,22,23,24)