A1IMX

4-[2-[1-[3-[3-(aminomethyl)phenoxy]propyl]-1,2,3-triazol-4-yl]ethoxy]-8-azanyl-quinoline-2-carboxylic acid


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Chemical Component Summary

Name4-[2-[1-[3-[3-(aminomethyl)phenoxy]propyl]-1,2,3-triazol-4-yl]ethoxy]-8-azanyl-quinoline-2-carboxylic acid
Identifiers4-[2-[1-[3-[3-(aminomethyl)phenoxy]propyl]-1,2,3-triazol-4-yl]ethoxy]-8-azanyl-quinoline-2-carboxylic acid
FormulaC24 H26 N6 O4
Molecular Weight462.501
TypeL-PEPTIDE LINKING
Isomeric SMILESc1cc(cc(c1)OCCCn2cc(nn2)CCOc3cc(nc4c3cccc4N)C(=O)O)CN
InChIInChI=1S/C24H26N6O4/c25-14-16-4-1-5-18(12-16)33-10-3-9-30-15-17(28-29-30)8-11-34-22-13-21(24(31)32)27-23-19(22)6-2-7-20(23)26/h1-2,4-7,12-13,15H,3,8-11,14,25-26H2,(H,31,32)
InChIKeyGTWPGQQBIMBTAY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count63
Aromatic Bond Count22