Daclatasvir RSSR Isomer

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H50N8O6
Molecular Weight	738.875
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@H](NC(=O)OC)C(C)C

InChI

InChIKey=FKRSSPOQAMALKA-PSWJWLENSA-N

InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33+,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H50N8O6
Molecular Weight	738.875
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:41:39 GMT 2025` Edited by `admin` on `Wed Apr 02 17:41:39 GMT 2025`
Record UNII	BB994U8BEZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS 313

Preferred Name

English

Daclatasvir RSSR Isomer

Common Name

English

Carbamic acid, N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1R)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester

Systematic Name

English

C,C?-Dimethyl N,N?-[[1,1?-biphenyl]-4,4?-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1R)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis[carbamate]

Systematic Name

English

Code System Code Type Description

CAS

1009107-27-0

Created by admin on Wed Apr 02 17:41:39 GMT 2025 , Edited by admin on Wed Apr 02 17:41:39 GMT 2025

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PUBCHEM

59669064

Created by admin on Wed Apr 02 17:41:39 GMT 2025 , Edited by admin on Wed Apr 02 17:41:39 GMT 2025

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FDA UNII

BB994U8BEZ

Created by admin on Wed Apr 02 17:41:39 GMT 2025 , Edited by admin on Wed Apr 02 17:41:39 GMT 2025

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