A1H9C

(R)-2-(3-(((4-methoxyphenyl)sulfonamido)methyl)phenyl)-2-(9-oxo-9H-fluorene-4-carboxamido)acetate

Created: 2024-04-24
Last modified:  2024-10-30

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count1
Bond Count68
Aromatic Bond Count24
2D diagram of A1H9C
Toggle HydrogenToggle Labels

Chemical Component Summary

Name(R)-2-(3-(((4-methoxyphenyl)sulfonamido)methyl)phenyl)-2-(9-oxo-9H-fluorene-4-carboxamido)acetate
Synonyms(2~{R})-2-[3-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
Systematic Name (OpenEye OEToolkits)(2~{R})-2-[3-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
FormulaC30 H24 N2 O7 S
Molecular Weight556.586
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COc1ccc(cc1)[S](=O)(=O)NCc2cccc(c2)[CH](NC(=O)c3cccc4C(=O)c5ccccc5c34)C(O)=O
SMILESOpenEye OEToolkits2.0.7COc1ccc(cc1)S(=O)(=O)NCc2cccc(c2)C(C(=O)O)NC(=O)c3cccc4c3-c5ccccc5C4=O
Canonical SMILESCACTVS3.385 COc1ccc(cc1)[S](=O)(=O)NCc2cccc(c2)[C@@H](NC(=O)c3cccc4C(=O)c5ccccc5c34)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 COc1ccc(cc1)S(=O)(=O)NCc2cccc(c2)[C@H](C(=O)O)NC(=O)c3cccc4c3-c5ccccc5C4=O
InChIInChI1.06 InChI=1S/C30H24N2O7S/c1-39-20-12-14-21(15-13-20)40(37,38)31-17-18-6-4-7-19(16-18)27(30(35)36)32-29(34)25-11-5-10-24-26(25)22-8-2-3-9-23(22)28(24)33/h2-16,27,31H,17H2,1H3,(H,32,34)(H,35,36)/t27-/m1/s1
InChIKeyInChI1.06 CLEMPUBHWYERSF-HHHXNRCGSA-N

Related Resource References

Resource NameReference
PubChem 172407451