APC-6336

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21N6O7P
Molecular Weight	500.4012
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C(CC2=NC3=CC(=CC=C3N2)C(N)=O)=NC4=CC=C(C=C14)C(=O)N[C@@H](CP(O)(O)=O)C(O)=O

InChI

InChIKey=PEXFKSJDXSBOLP-HNNXBMFYSA-N

InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H21N6O7P
Molecular Weight	500.4012
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:04:14 GMT 2023` Edited by `admin` on `Sat Dec 16 10:04:14 GMT 2023`
Record UNII	4124YUO44Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APC-6336

Common Name

English

CRA-6336

Code

English

ALANINE, N-((2-((5-(AMINOCARBONYL)-1H-BENZIMIDAZOL-2-YL)METHYL)-1-METHYL-1H-BENZIMIDAZOL-6-YL)CARBONYL)-3-PHOSPHONO-

Systematic Name

English

Code System Code Type Description

CAS

263870-19-5

Created by admin on Sat Dec 16 10:04:14 GMT 2023 , Edited by admin on Sat Dec 16 10:04:14 GMT 2023

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FDA UNII

4124YUO44Z

Created by admin on Sat Dec 16 10:04:14 GMT 2023 , Edited by admin on Sat Dec 16 10:04:14 GMT 2023

PRIMARY

PUBCHEM

72941786

Created by admin on Sat Dec 16 10:04:14 GMT 2023 , Edited by admin on Sat Dec 16 10:04:14 GMT 2023

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Related Record Type Details


					4124YUO44Z

APC-6336

ACTIVE MOIETY