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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H39N5O6S
Molecular Weight 645.768
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R,6S,12Z,13AS,14AR,16AS)-6-AMINO-N-(CYCLOPROPYLSULFONYL)-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-TETRADECAHYDRO-5,16-DIOXO-2-(6-PHENANTHRIDINYLOXY)CYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINE-14A(5H)-CARBOXAMIDE

SMILES

[H][C@@]12C[C@]1(NC(=O)[C@]3([H])C[C@H](CN3C(=O)[C@@H](N)CCCCCC=C2)OC4=NC5=C(C=CC=C5)C6=C4C=CC=C6)C(=O)NS(=O)(=O)C7CC7

InChI

InChIKey=UEQVJFQFVZTHRQ-QXJUTLRNSA-N
InChI=1S/C34H39N5O6S/c35-27-14-5-3-1-2-4-10-21-19-34(21,33(42)38-46(43,44)23-16-17-23)37-30(40)29-18-22(20-39(29)32(27)41)45-31-26-13-7-6-11-24(26)25-12-8-9-15-28(25)36-31/h4,6-13,15,21-23,27,29H,1-3,5,14,16-20,35H2,(H,37,40)(H,38,42)/b10-4-/t21-,22-,27+,29+,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H39N5O6S
Molecular Weight 645.768
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:25:58 UTC 2023
Edited
by admin
on Thu Jul 06 20:25:58 UTC 2023
Record UNII
3F687PS65V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2R,6S,12Z,13AS,14AR,16AS)-6-AMINO-N-(CYCLOPROPYLSULFONYL)-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-TETRADECAHYDRO-5,16-DIOXO-2-(6-PHENANTHRIDINYLOXY)CYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINE-14A(5H)-CARBOXAMIDE
Systematic Name English
PARITAPREVIR METABOLITE M25
Common Name English
CYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINE-14A(5H)-CARBOXAMIDE, 6-AMINO-N-(CYCLOPROPYLSULFONYL)-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-TETRADECAHYDRO-5,16-DIOXO-2-(6-PHENANTHRIDINYLOXY)-, (2R,6S,12Z,13AS,14AR,16AS)-
Systematic Name English
Code System Code Type Description
FDA UNII
3F687PS65V
Created by admin on Thu Jul 06 20:25:58 UTC 2023 , Edited by admin on Thu Jul 06 20:25:58 UTC 2023
PRIMARY
PUBCHEM
68499876
Created by admin on Thu Jul 06 20:25:58 UTC 2023 , Edited by admin on Thu Jul 06 20:25:58 UTC 2023
PRIMARY
CAS
1217170-73-4
Created by admin on Thu Jul 06 20:25:58 UTC 2023 , Edited by admin on Thu Jul 06 20:25:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; URINE