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2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanesulfonic acid

2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanesulfonic acid

Systemtic Name:2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanesulfonic acid
Openeye Name:2-[4-(benzyloxycarbonylamino)butanoylamino]ethanesulfonic acid
CAS Name:2-[[1-oxo-4-(phenylmethoxycarbonylamino)butyl]amino]ethanesulfonic acid
IUPAC Name:2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanesulfonic acid
Traditional Name:2-[4-(benzyloxycarbonylamino)butanoylamino]ethanesulfonic acid
Formula: C14H20N2O6S
MolecularWeight: 344.3834
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H20N2O6S/c17-13(15-9-10-23(19,20)21)7-4-8-16-14(18)22-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,17)(H,16,18)(H,19,20,21)


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