Chemical Component Summary

Name2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid
Identifiers(2S)-2-[[[4-(2-azanylethyl)phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]amino]-3-oxidanyl-propanoic acid
FormulaC11 H18 N2 O5 S
Molecular Weight290.336
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CCN)S(N[C@@H](CO)C(=O)O)(O)O
InChIInChI=1S/C11H18N2O5S/c12-6-5-8-1-3-9(4-2-8)19(17,18)13-10(7-14)11(15)16/h1-4,10,13-14,17-18H,5-7,12H2,(H,15,16)/t10-/m0/s1
InChIKeySQBHFIANGBPIBX-JTQLQIEISA-N

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count1
Bond Count37
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 137348960