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2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethanesulfonic acid

2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethanesulfonic acid

Systemtic Name:2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethanesulfonic acid
Openeye Name:2-[3-(benzyloxycarbonylamino)propanoylamino]ethanesulfonic acid
CAS Name:2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]ethanesulfonic acid
IUPAC Name:2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethanesulfonic acid
Traditional Name:2-[3-(benzyloxycarbonylamino)propanoylamino]ethanesulfonic acid
Formula: C13H18N2O6S
MolecularWeight: 330.35682
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCC(=O)NCCS(=O)(=O)O


Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC(=O)NCCS(=O)(=O)O


InChI

InChI=1S/C13H18N2O6S/c16-12(14-8-9-22(18,19)20)6-7-15-13(17)21-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,16)(H,15,17)(H,18,19,20)


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