Chemical Component Summary

Name4-chloro-2-[({(1S,2S)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid
Identifiers4-chloranyl-2-[[(1~{S},2~{S})-2-(2,2-dimethylpropanoylamino)cyclopentyl]methylamino]benzoic acid
FormulaC18 H25 Cl N2 O3
Molecular Weight352.856
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc2cc(ccc2C(=O)O)Cl
InChIInChI=1S/C18H25ClN2O3/c1-18(2,3)17(24)21-14-6-4-5-11(14)10-20-15-9-12(19)7-8-13(15)16(22)23/h7-9,11,14,20H,4-6,10H2,1-3H3,(H,21,24)(H,22,23)/t11-,14-/m0/s1
InChIKeyKOHMGERIGIVBEC-FZMZJTMJSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count2
Bond Count50
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL4086788
PubChem 124219472
ChEMBL CHEMBL4086788