A1CF1

(2R)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid

Created:2025-06-10
Last modified:  2025-06-25

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count1
Bond Count61
Aromatic Bond Count24
2D diagram of A1CF1
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Chemical Component Summary

Name(2R)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid
Systematic Name (OpenEye OEToolkits)(2~{R})-2-[2-[(2-chloranyl-5-phenyl-phenyl)methoxy]phenyl]-2-[(2-oxidanylidene-3~{H}-1,3-benzoxazol-5-yl)amino]ethanoic acid
FormulaC28 H21 Cl N2 O5
Molecular Weight500.93
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Clc1ccc(cc1COc1ccccc1C(Nc1cc2NC(=O)Oc2cc1)C(=O)O)c1ccccc1
SMILESCACTVS3.385OC(=O)[CH](Nc1ccc2OC(=O)Nc2c1)c3ccccc3OCc4cc(ccc4Cl)c5ccccc5
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)c2ccc(c(c2)COc3ccccc3C(C(=O)O)Nc4ccc5c(c4)NC(=O)O5)Cl
Canonical SMILESCACTVS3.385 OC(=O)[C@H](Nc1ccc2OC(=O)Nc2c1)c3ccccc3OCc4cc(ccc4Cl)c5ccccc5
Canonical SMILESOpenEye OEToolkits3.1.0.0 c1ccc(cc1)c2ccc(c(c2)COc3ccccc3[C@H](C(=O)O)Nc4ccc5c(c4)NC(=O)O5)Cl
InChIInChI1.06 InChI=1S/C28H21ClN2O5/c29-22-12-10-18(17-6-2-1-3-7-17)14-19(22)16-35-24-9-5-4-8-21(24)26(27(32)33)30-20-11-13-25-23(15-20)31-28(34)36-25/h1-15,26,30H,16H2,(H,31,34)(H,32,33)/t26-/m1/s1
InChIKeyInChI1.06 KWPWSDGGBZEWFY-AREMUKBSSA-N

Related Resource References

Resource NameReference
PubChem 175679309