2-DESMETHYL-3-METHYLVELPATASVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H54N8O8
Molecular Weight	883.0019
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-DESMETHYL-3-METHYLVELPATASVIR

Structure Search

SMILES

COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)C2=CC=CC=C2)C3=NC=C(N3)C4=CC=C5C(COC6=CC7=C(C=CC8=C7NC(=N8)[C@@H]9C[C@H](C)CN9C(=O)[C@@H](NC(=O)OC)C(C)C)C=C56)=C4

InChI

InChIKey=BQFUFRJUGDYITB-CDIODLITSA-N

InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)46(58)56-22-27(3)16-38(56)45-51-36-15-13-30-19-35-33-14-12-31(18-32(33)25-65-40(35)20-34(30)43(36)53-45)37-21-50-44(52-37)39-17-28(24-62-4)23-57(39)47(59)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-15,18-21,26-28,38-39,41-42H,16-17,22-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H54N8O8
Molecular Weight	883.0019
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:51:02 GMT 2025` Edited by `admin` on `Mon Mar 31 21:51:02 GMT 2025`
Record UNII	NT6S406N6H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-DESMETHYL-3-METHYLVELPATASVIR

Common Name

English

METHYL N-((1R)-2-((2S,4S)-2-(5-(1,11-DIHYDRO-2-((2S,4S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-4-METHYL-2-PYRROLIDINYL)(2)BENZOPYRANO(4',3':6,7)NAPHTH(1,2-D)IMIDAZOL-9-YL)-1H-IMIDAZOL-2-YL)-4-(METHOXYMETHYL)-1-PYRROLIDINYL)-2-OXO-1-PHENY

Preferred Name

English

Code System Code Type Description

FDA UNII

NT6S406N6H

Created by admin on Mon Mar 31 21:51:02 GMT 2025 , Edited by admin on Mon Mar 31 21:51:02 GMT 2025

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CAS

1377050-50-4

Created by admin on Mon Mar 31 21:51:02 GMT 2025 , Edited by admin on Mon Mar 31 21:51:02 GMT 2025

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PUBCHEM

86688348

Created by admin on Mon Mar 31 21:51:02 GMT 2025 , Edited by admin on Mon Mar 31 21:51:02 GMT 2025

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