LEDIPASVIR DIACETONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C49H54F2N8O6.2C3H6O
Molecular Weight	1005.1581
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=O.CC(C)=O.COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C=C(C=C6)C7=CC=C8N=C(NC8=C7)[C@@H]9[C@H]%10CC[C@H](C%10)N9C(=O)[C@@H](NC(=O)OC)C(C)C)C5(F)F

InChI

InChIKey=LXKDKHCANHWUPC-YGWQTYEPSA-N

InChI=1S/C49H54F2N8O6.2C3H6O/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6;2*1-3(2)4/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63);2*1-2H3/t29-,30+,38-,39-,40-,41-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

LEDIPASVIR DIACETONE

Common Name

English

CARBAMIC ACID, N-((1S)-1-(((6S)-6-(5-(9,9-DIFLUORO-7-(2-((1R,3S,4S)-2-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-AZABICYCLO(2.2.1)HEPT-3-YL)-1H-BENZIMIDAZOL-6-YL)-9H-FLUOREN-2-YL)-1H-IMIDAZOL-2-YL)-5-AZASPIRO(2.4)HEPT-5-YL)CARBONYL)-2-METHYL

Systematic Name

English

Code System Code Type Description

CAS

1502655-48-2

Created by admin on Sat Dec 16 12:07:34 UTC 2023 , Edited by admin on Sat Dec 16 12:07:34 UTC 2023

PRIMARY

FDA UNII

Z6GY125S9S

Created by admin on Sat Dec 16 12:07:34 UTC 2023 , Edited by admin on Sat Dec 16 12:07:34 UTC 2023

PRIMARY

PUBCHEM