UN6

(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID


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Chemical Component Summary

Name(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID
Identifiers[3-[[3-[3-(sulfoamino)phenyl]propanoylamino]methyl]phenyl]sulfamic acid
FormulaC16 H19 N3 O7 S2
Molecular Weight429.468
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(=O)O
InChIInChI=1S/C16H19N3O7S2/c20-16(8-7-12-3-1-5-14(9-12)18-27(21,22)23)17-11-13-4-2-6-15(10-13)19-28(24,25)26/h1-6,9-10,18-19H,7-8,11H2,(H,17,20)(H,21,22,23)(H,24,25,26)
InChIKeyUWGCDTODPMLETQ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count48
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 5327157
ChEMBL CHEMBL206655