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Reference substances

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IUPAC name:
Reaction mass of isomers of disodium amino-(3-carboxylatopropanamido)hexanoate and trisodium 2,6-bis(3-carboxylatopropanamido)hexanoate

Inventory

CAS number:
1917323-94-4

Synonyms

Molecular and structural information

Molecular formula:
C14H21N2Na3O8
and
C10H16N2Na2O5
Molecular weight:
>= 290.23 - <= 412.3
SMILES notation:
[Na+].[Na+].[Na+].[O-]C(=O)C(CCCCNC(=O)CCC([O-])=O)NC(=O)CCC([O-])=O
and
[Na+].[Na+].[O-]C(=O)C(CCCCN)NC(=O)CCC([O-])=O
and
[Na+].[Na+].[O-]C(=O)C(N)CCCCNC(=O)CCC([O-])=O
InChl:
nChI=1S/C14H22N2O8.3Na/c17-10(4-6-12(19)20)15-8-2-1-3-9(14(23)24)16-11(18)5-7-13(21)22;;;/h9H,1-8H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)(H,23,24);;;/q;3*+1/p-3
and
InChI=1S/C10H18N2O5.2Na/c11-6-2-1-3-7(10(16)17)12-8(13)4-5-9(14)15;;/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17);;/q;2*+1/p-2
and
InChI=1S/C10H18N2O5.Na/c11-7(10(16)17)3-1-2-6-12-8(13)4-5-9(14)15;/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17);/q;+1/p-2
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
1917323-94-4