N6-(((4-(2-(BIS(CARBOXYMETHYL)AMINO)-3-((2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)(CARBOXYMETHYL)AMINO)PROPYL)PHENYL)AMINO)THIOXOMETHYL)-L-LYSINE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C28H42N6O12S
Molecular Weight	686.731
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N6-(((4-(2-(BIS(CARBOXYMETHYL)AMINO)-3-((2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)(CARBOXYMETHYL)AMINO)PROPYL)PHENYL)AMINO)THIOXOMETHYL)-L-LYSINE

Structure Search

SMILES

N[C@@H](CCCCNC(=S)NC1=CC=C(CC(CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O)C=C1)C(O)=O

InChI

InChIKey=FOIAQXXUVRINCI-LBAQZLPGSA-N

InChI=1S/C28H42N6O12S/c29-21(27(45)46)3-1-2-8-30-28(47)31-19-6-4-18(5-7-19)11-20(34(16-25(41)42)17-26(43)44)12-32(13-22(35)36)9-10-33(14-23(37)38)15-24(39)40/h4-7,20-21H,1-3,8-17,29H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,30,31,47)/t20?,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H42N6O12S
Molecular Weight	686.731
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:44:16 GMT 2025` Edited by `admin` on `Mon Mar 31 23:44:16 GMT 2025`
Record UNII	F553CW0ZSR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N6-(((4-(2-(BIS(CARBOXYMETHYL)AMINO)-3-((2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)(CARBOXYMETHYL)AMINO)PROPYL)PHENYL)AMINO)THIOXOMETHYL)-L-LYSINE

Systematic Name

English

CITUXETAN

Preferred Name

English

Code System Code Type Description

FDA UNII

F553CW0ZSR

Created by admin on Mon Mar 31 23:44:17 GMT 2025 , Edited by admin on Mon Mar 31 23:44:17 GMT 2025

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PUBCHEM

121494111

Created by admin on Mon Mar 31 23:44:17 GMT 2025 , Edited by admin on Mon Mar 31 23:44:17 GMT 2025

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