Diisodityrosine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H38N4O12
Molecular Weight	718.7065
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N[C@@H](CC1=CC=C(OC2=CC(C[C@H](N)C(O)=O)=CC(=C2O)C3=CC(C[C@H](N)C(O)=O)=CC(OC4=CC=C(C[C@H](N)C(O)=O)C=C4)=C3O)C=C1)C(O)=O

InChI

InChIKey=AEABCQUPKOOFQW-LJWNLINESA-N

InChI=1S/C36H38N4O12/c37-25(33(43)44)11-17-1-5-21(6-2-17)51-29-15-19(13-27(39)35(47)48)9-23(31(29)41)24-10-20(14-28(40)36(49)50)16-30(32(24)42)52-22-7-3-18(4-8-22)12-26(38)34(45)46/h1-10,15-16,25-28,41-42H,11-14,37-40H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)/t25-,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H38N4O12
Molecular Weight	718.7065
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:03:46 GMT 2025` Edited by `admin` on `Wed Apr 02 08:03:46 GMT 2025`
Record UNII	T8XB5NF3UD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Diisodityrosine

Common Name

English

Di-isodityrosine

Preferred Name

English

(?S,??S)-?,??-Diamino-5,5?-bis[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6?-dihydroxy[1,1?-biphenyl]-3,3?-dipropanoic acid

Systematic Name

English

[1,1?-Biphenyl]-3,3?-dipropanoic acid, ?,??-diamino-5,5?-bis[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6?-dihydroxy-, (?S,??S)-

Systematic Name

English

(2S)-2-amino-3-[4-[5-[(2S)-2-amino-2-carboxyethyl]-3-[5-[(2S)-2-amino-2-carboxyethyl]-3-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid

Systematic Name

English

Code System Code Type Description

CAS

175889-19-7

Created by admin on Wed Apr 02 08:03:46 GMT 2025 , Edited by admin on Wed Apr 02 08:03:46 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

DTXSID501104422

Created by admin on Wed Apr 02 08:03:46 GMT 2025 , Edited by admin on Wed Apr 02 08:03:46 GMT 2025

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PUBCHEM

101940838

Created by admin on Wed Apr 02 08:03:46 GMT 2025 , Edited by admin on Wed Apr 02 08:03:46 GMT 2025

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FDA UNII

T8XB5NF3UD

Created by admin on Wed Apr 02 08:03:46 GMT 2025 , Edited by admin on Wed Apr 02 08:03:46 GMT 2025

PRIMARY