CAS 191671-46-2 | Hexanoic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, sodium salt (1:1) | CAS Number 191671-46-2

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191671-46-2 | Hexanoic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, sodium salt (1:1)

CAS No: 191671-46-2 Catalog No: AG002FF1 MDL No:MFCD00078534

Product Description

Catalog Number:

AG002FF1

Chemical Name:

Hexanoic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, sodium salt (1:1)

CAS Number:

191671-46-2

Molecular Formula:

C20H30N4NaO9S2

Molecular Weight:

557.5934

MDL Number:

MFCD00078534

IUPAC Name:

sodium;2,5-dioxo-1-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoyloxy]pyrrolidine-3-sulfonate

InChI:

InChI=1S/C20H30N4O9S2.Na/c25-15(7-4-3-6-13-18-12(11-34-13)22-20(29)23-18)21-9-5-1-2-8-17(27)33-24-16(26)10-14(19(24)28)35(30,31)32;/h12-14,18H,1-11H2,(H,21,25)(H2,22,23,29)(H,30,31,32);/q;+1/p-1

InChI Key:

JJGWLCLUQNFDIS-UHFFFAOYSA-M

SMILES:

O=C(CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2)NCCCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O.[Na]