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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H33FN2O5
Molecular Weight 556.6239
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHENYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, (.BETA.R,.DELTA.R)-

SMILES

CC(=C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C3=CC=C(F)C=C3)C4=CC=CC=C4

InChI

InChIKey=ZVRRIFAVJBGXAT-KAYWLYCHSA-N
InChI=1S/C33H33FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,26-27,37-38H,1,17-20H2,2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H33FN2O5
Molecular Weight 556.6239
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:34:24 UTC 2023
Edited
by admin
on Sat Dec 16 18:34:24 UTC 2023
Record UNII
ZJ9JWF36WQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHENYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, (.BETA.R,.DELTA.R)-
Common Name English
Code System Code Type Description
PUBCHEM
155923142
Created by admin on Sat Dec 16 18:34:24 UTC 2023 , Edited by admin on Sat Dec 16 18:34:24 UTC 2023
PRIMARY
FDA UNII
ZJ9JWF36WQ
Created by admin on Sat Dec 16 18:34:24 UTC 2023 , Edited by admin on Sat Dec 16 18:34:24 UTC 2023
PRIMARY
CAS
214284-47-6
Created by admin on Sat Dec 16 18:34:24 UTC 2023 , Edited by admin on Sat Dec 16 18:34:24 UTC 2023
PRIMARY
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