DIABZI STING AGONIST-1

Details

Stereochemistry	ACHIRAL
Molecular Formula	C42H51N13O7
Molecular Weight	849.9372
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN1N=C(C)C=C1C(=O)\N=C2/NC3=C(N2C\C=C\CN4\C(NC5=CC(=CC(OCCCN6CCOCC6)=C45)C(N)=O)=N\C(=O)C7=CC(C)=NN7CC)C(OC)=CC(=C3)C(N)=O

InChI

InChIKey=JGLMVXWAHNTPRF-CMDGGOBGSA-N

InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+

HIDE SMILES / InChI

Molecular Formula	C42H51N13O7
Molecular Weight	849.9372
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:44:03 GMT 2025` Edited by `admin` on `Wed Apr 02 12:44:03 GMT 2025`
Record UNII	L7DUG75C36
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIABZI STING AGONIST-1

Common Name

English

1H-BENZIMIDAZOLE-5-CARBOXAMIDE, 1-((2E)-4-((2E)-5-(AMINOCARBONYL)-2-(((1-ETHYL-3-METHYL-1H-PYRAZOL-5-YL)CARBONYL)IMINO)-2,3-DIHYDRO-7-METHOXY-1H-BENZIMIDAZOL-1-YL)-2-BUTEN-1-YL)-2-(((1-ETHYL-3-METHYL-1H-PYRAZOL-5-YL)CARBONYL)IMINO)-2,3-DIHYDRO-7-(3-(4-MO

Preferred Name

English

1H-BENZIMIDAZOLE-5-CARBOXAMIDE, 1-((2E)-4-(5-(AMINOCARBONYL)-2-(((1-ETHYL-3-METHYL-1H-PYRAZOL-5-YL)CARBONYL)AMINO)-7-METHOXY-1H-BENZIMIDAZOL-1-YL)-2-BUTEN-1-YL)-2-(((1-ETHYL-3-METHYL-1H-PYRAZOL-5-YL)CARBONYL)AMINO)-7-(3-(4-MORPHOLINYL)PROPOXY)-

Systematic Name

English

Code System Code Type Description

CAS

2138498-18-5