ONS

(2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid



Chemical Component Summary

Name(2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid
Identifiers(2~{S})-2-[4-[3-[[4,5-bis(chloranyl)-1-methyl-indol-2-yl]carbonylamino]oxetan-3-yl]phenyl]-2-pyridin-3-yl-ethanoic acid
FormulaC26 H21 Cl2 N3 O4
Molecular Weight510.369
TypeNON-POLYMER
Isomeric SMILESCn1c2ccc(c(c2cc1C(=O)NC3(COC3)c4ccc(cc4)[C@@H](c5cccnc5)C(=O)O)Cl)Cl
InChIInChI=1S/C26H21Cl2N3O4/c1-31-20-9-8-19(27)23(28)18(20)11-21(31)24(32)30-26(13-35-14-26)17-6-4-15(5-7-17)22(25(33)34)16-3-2-10-29-12-16/h2-12,22H,13-14H2,1H3,(H,30,32)(H,33,34)/t22-/m0/s1
InChIKeyLHTXTAIWLHZCIX-QFIPXVFZSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count1
Bond Count60
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 138753631