KNI-694

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H50N8O9S
Molecular Weight	818.938
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)NCC5=CC=CC=C5C)O2)C(=O)NC1=O

InChI

InChIKey=RQXCOMZVJDKMLZ-VCGGIVCXSA-N

InChI=1S/C40H50N8O9S/c1-23-12-10-11-15-26(23)19-42-35(52)33-40(5,6)58-22-48(33)36(53)32(50)28(16-25-13-8-7-9-14-25)43-30(49)18-39(3,4)37(54)56-21-29-27(45-46-41)17-31(57-29)47-20-24(2)34(51)44-38(47)55/h7-15,20,27-29,31-33,50H,16-19,21-22H2,1-6H3,(H,42,52)(H,43,49)(H,44,51,55)/t27-,28-,29+,31+,32-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H50N8O9S
Molecular Weight	818.938
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 18:19:06 GMT 2023` Edited by `admin` on `Sat Dec 16 18:19:06 GMT 2023`
Record UNII	WFF77LGT53
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KNI-694

Code

English

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

Systematic Name

English

KNI694

Code

English

((2S,3S,5R)-3-AZIDO-5-(5-METHYL-2,4-DIOXOPYRIMIDIN-1-YL)OXOLAN-2-YL)METHYL 4-(((2S,3S)-4-((4R)-5,5-DIMETHYL-4-((2-METHYLPHENYL)METHYLCARBAMOYL)-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

PUBCHEM

9832365

Created by admin on Sat Dec 16 18:19:06 GMT 2023 , Edited by admin on Sat Dec 16 18:19:06 GMT 2023

PRIMARY

FDA UNII

WFF77LGT53

Created by admin on Sat Dec 16 18:19:06 GMT 2023 , Edited by admin on Sat Dec 16 18:19:06 GMT 2023

PRIMARY

CAS

226225-86-1

Created by admin on Sat Dec 16 18:19:06 GMT 2023 , Edited by admin on Sat Dec 16 18:19:06 GMT 2023

PRIMARY

Related Record Type Details


					WFF77LGT53

KNI-694

ACTIVE MOIETY