KNI-684

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H50N8O9S
Molecular Weight	770.895
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)C(C)(C)CC(=O)N[C@@H](CC3=CC=CC=C3)[C@H](O)C(=O)N4CSC(C)(C)[C@H]4C(=O)NC(C)(C)C)O2)C(=O)NC1=O

InChI

InChIKey=VUJJTOYXLSGLJE-QYGHZMAOSA-N

InChI=1S/C36H50N8O9S/c1-20-17-43(33(51)39-29(20)47)26-15-22(41-42-37)24(53-26)18-52-32(50)35(5,6)16-25(45)38-23(14-21-12-10-9-11-13-21)27(46)31(49)44-19-54-36(7,8)28(44)30(48)40-34(2,3)4/h9-13,17,22-24,26-28,46H,14-16,18-19H2,1-8H3,(H,38,45)(H,40,48)(H,39,47,51)/t22-,23-,24+,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H50N8O9S
Molecular Weight	770.895
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:45:06 GMT 2023` Edited by `admin` on `Sat Dec 16 09:45:06 GMT 2023`
Record UNII	QD5UMC4TB8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KNI-684

Code

English

THYMIDINE, 3'-AZIDO-3'-DEOXY-, 5'-(4-(((1S,2S)-3-((4R)-4-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-5,5-DIMETHYL-3-THIAZOLIDINYL)-2-HYDROXY-3-OXO-1-(PHENYLMETHYL)PROPYL)AMINO)-2,2-DIMETHYL-4-OXOBUTANOATE)

Systematic Name

English

KNI684

Code

English

((2S,3S,5R)-3-AZIDO-5-(5-METHYL-2,4-DIOXOPYRIMIDIN-1-YL)OXOLAN-2-YL)METHYL 4-(((2S,3S)-4-((4R)-4-(TERT-BUTYLCARBAMOYL)-5,5-DIMETHYL-1,3-THIAZOLIDIN-3-YL)-3-HYDROXY-4-OXO-1-PHENYLBUTAN-2-YL)AMINO)-2,2-DIMETHYL-4-OXOBUTANOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

QD5UMC4TB8

Created by admin on Sat Dec 16 09:45:06 GMT 2023 , Edited by admin on Sat Dec 16 09:45:06 GMT 2023

PRIMARY

PUBCHEM

10259612

Created by admin on Sat Dec 16 09:45:06 GMT 2023 , Edited by admin on Sat Dec 16 09:45:06 GMT 2023

PRIMARY

CAS

226225-77-0

Created by admin on Sat Dec 16 09:45:06 GMT 2023 , Edited by admin on Sat Dec 16 09:45:06 GMT 2023

PRIMARY

Related Record Type Details


					QD5UMC4TB8

KNI-684

ACTIVE MOIETY