CALCIUM BINDING DDGQ-TYPE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C5H10N2O3.2C4H6NO4.C2H5NO2.Ca
Molecular Weight	525.479
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].NCC(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CCC(N)=O)C(O)=O

InChI

InChIKey=SQTBJSXNVUYXSW-HXSZRPLLSA-L

InChI=1S/C5H10N2O3.2C4H7NO4.C2H5NO2.Ca/c6-3(5(9)10)1-2-4(7)8;2*5-2(4(8)9)1-3(6)7;3-1-2(4)5;/h3H,1-2,6H2,(H2,7,8)(H,9,10);2*2H,1,5H2,(H,6,7)(H,8,9);1,3H2,(H,4,5);/q;;;;+2/p-2/t3-;2*2-;;/m000../s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	C2H4NO2
Molecular Weight	74.0587
Charge	-1
Count

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

Molecular Formula	C5H10N2O3
Molecular Weight	146.1445
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 `Sat Dec 16 14:47:12 GMT 2023` Edited by `admin` on `Sat Dec 16 14:47:12 GMT 2023`
Record UNII	XV1PRF3VJ5
Record Status	`Validated (UNII)`
Record Version

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Type

Language

CALCIUM BINDING DDGQ-TYPE

Common Name

English

Code System Code Type Description

FDA UNII

XV1PRF3VJ5

Created by admin on Sat Dec 16 14:47:12 GMT 2023 , Edited by admin on Sat Dec 16 14:47:12 GMT 2023

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PUBCHEM

145721927

Created by admin on Sat Dec 16 14:47:12 GMT 2023 , Edited by admin on Sat Dec 16 14:47:12 GMT 2023

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