TAK-029

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23N5O7
Molecular Weight	433.4152
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)C2=CC=C(C=C2)C(N)=N

InChI

InChIKey=CRFQJHNXTNBRQR-ZDUSSCGKSA-N

InChI=1S/C19H23N5O7/c1-31-16(28)8-13-19(30)23(10-15(26)27)6-7-24(13)14(25)9-22-18(29)12-4-2-11(3-5-12)17(20)21/h2-5,13H,6-10H2,1H3,(H3,20,21)(H,22,29)(H,26,27)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H23N5O7
Molecular Weight	433.4152
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 `Fri Dec 15 15:54:10 GMT 2023` Edited by `admin` on `Fri Dec 15 15:54:10 GMT 2023`
Record UNII	Y4J25YSK68
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TAK-029

Code

English

1,3-PIPERAZINEDIACETIC ACID, 4-(((4-(AMINOIMINOMETHYL)BENZOYL)AMINO)ACETYL)-2-OXO-, .ALPHA.3-METHYL ESTER, (S)-

Systematic Name

English

4-((4-AMIDINOBENZOYL)GLYCYL)-3-METHOXYCARBONYLMETHYL-2-OXO-PIPERAZINE-1-ACETIC ACID, S-

Systematic Name

English

1,3-PIPERAZINEDIACETIC ACID, 4-(((4-(AMINOIMINOMETHYL)BENZOYL)AMINO)ACETYL)-2-OXO-, .ALPHA.3-METHYL ESTER, (3S)-

Systematic Name

English

Code System Code Type Description

CAS

176655-58-6

Created by admin on Fri Dec 15 15:54:10 GMT 2023 , Edited by admin on Fri Dec 15 15:54:10 GMT 2023

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EPA CompTox

DTXSID50938829

Created by admin on Fri Dec 15 15:54:10 GMT 2023 , Edited by admin on Fri Dec 15 15:54:10 GMT 2023

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FDA UNII

Y4J25YSK68

Created by admin on Fri Dec 15 15:54:10 GMT 2023 , Edited by admin on Fri Dec 15 15:54:10 GMT 2023

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PUBCHEM

9824171

Created by admin on Fri Dec 15 15:54:10 GMT 2023 , Edited by admin on Fri Dec 15 15:54:10 GMT 2023

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