EPSILON-LYSINE-PENTETATE IN-111

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H31N5O11.In.H
Molecular Weight	633.313
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EPSILON-LYSINE-PENTETATE IN-111

Structure Search

SMILES

[H+].[In+3].N[C@@H](CCCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)CC([O-])=O)C(O)=O

InChI

InChIKey=SNTKZBAZIHJZTB-UQKRIMTDSA-K

InChI=1S/C20H35N5O11.In/c21-14(20(35)36)3-1-2-4-22-15(26)9-24(11-17(29)30)7-5-23(10-16(27)28)6-8-25(12-18(31)32)13-19(33)34;/h14H,1-13,21H2,(H,22,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C20H31N5O11
Molecular Weight	517.487
Charge	-4
Count

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

Molecular Formula	In
Molecular Weight	114.818
Charge	3
Count

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

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:58:17 GMT 2023` Edited by `admin` on `Sat Dec 16 08:58:17 GMT 2023`
Record UNII	NT63WDJ5VH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPSILON-LYSINE-PENTETATE IN-111

Common Name

English

Code System Code Type Description

FDA UNII

NT63WDJ5VH

Created by admin on Sat Dec 16 08:58:17 GMT 2023 , Edited by admin on Sat Dec 16 08:58:17 GMT 2023

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PUBCHEM

76964428

Created by admin on Sat Dec 16 08:58:17 GMT 2023 , Edited by admin on Sat Dec 16 08:58:17 GMT 2023

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