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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30N4O6
Molecular Weight 518.561
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(4-(2-((2S)-1-((2S)-2-(METHOXYCARBONYLAMINO)-3-METHYL-BUTANOYL)PYRROLIDIN-2-YL)-1H-IMIDAZOL-5-YL)PHENYL)PHENYL)-2-OXO-ACETIC ACID

SMILES

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C(O)=O

InChI

InChIKey=LSTGPXVWUDIVSH-GOTSBHOMSA-N
InChI=1S/C28H30N4O6/c1-16(2)23(31-28(37)38-3)26(34)32-14-4-5-22(32)25-29-15-21(30-25)19-10-6-17(7-11-19)18-8-12-20(13-9-18)24(33)27(35)36/h6-13,15-16,22-23H,4-5,14H2,1-3H3,(H,29,30)(H,31,37)(H,35,36)/t22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H30N4O6
Molecular Weight 518.561
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 14:33:38 GMT 2023
Edited
by admin
on Sat Dec 16 14:33:38 GMT 2023
Record UNII
3BP5HX5KJU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(4-(2-((2S)-1-((2S)-2-(METHOXYCARBONYLAMINO)-3-METHYL-BUTANOYL)PYRROLIDIN-2-YL)-1H-IMIDAZOL-5-YL)PHENYL)PHENYL)-2-OXO-ACETIC ACID
Systematic Name English
DACLATASVIR METABOLITE 8
Common Name English
Code System Code Type Description
FDA UNII
3BP5HX5KJU
Created by admin on Sat Dec 16 14:33:38 GMT 2023 , Edited by admin on Sat Dec 16 14:33:38 GMT 2023
PRIMARY
PUBCHEM
156596762
Created by admin on Sat Dec 16 14:33:38 GMT 2023 , Edited by admin on Sat Dec 16 14:33:38 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE