CALCIUM BINDING DDDHN-TYPE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C6H9N3O2.C4H8N2O3.3C4H6NO4.Ca.H
Molecular Weight	724.643
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[Ca++].N[C@@H](CC(N)=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC1=CNC=N1)C(O)=O

InChI

InChIKey=UUPIYEWBKALWAS-ZFIXASFWSA-L

InChI=1S/C6H9N3O2.C4H8N2O3.3C4H7NO4.Ca/c7-5(6(10)11)1-4-2-8-3-9-4;4*5-2(4(8)9)1-3(6)7;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2H,1,5H2,(H2,6,7)(H,8,9);3*2H,1,5H2,(H,6,7)(H,8,9);/q;;;;;+2/p-2/t5-;4*2-;/m00000./s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C4H7NO4
Molecular Weight	133.1027
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H8N2O3
Molecular Weight	132.1179
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C6H9N3O2
Molecular Weight	155.1546
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:16:37 GMT 2025` Edited by `admin` on `Wed Apr 02 05:16:37 GMT 2025`
Record UNII	IZ8OQS08VY
Record Status	`Validated (UNII)`
Record Version

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CALCIUM BINDING DDDHN-TYPE

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Code System Code Type Description

PUBCHEM

139593476

Created by admin on Wed Apr 02 05:16:37 GMT 2025 , Edited by admin on Wed Apr 02 05:16:37 GMT 2025

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FDA UNII

IZ8OQS08VY

Created by admin on Wed Apr 02 05:16:37 GMT 2025 , Edited by admin on Wed Apr 02 05:16:37 GMT 2025

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