H-Asn-Glu-OH

CAT: 0926-FA108276-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FA108276-01Size:500 mg

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CAS Number

20917-58-2

MDL Number

MFCD00237811

Smiles

C (CC (=O) O) [C@@H] (C (=O) O) NC (=O) [C@H] (CC (=O) N) N

Molecular Formula

C9H15N3O6

Molecular Weight

261.23 g/mol

Controlled

Chemical Information

Asn-Glu

Asn-Glu is a dipeptide formed from L-asparagine and L-glutamic acid residues. It has a role as a metabolite.

CAS Number	20917-58-2
PubChem CID	7019991
IUPAC Name	(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanedioic acid
Molecular Formula	C9H15N3O6
Molecular Weight	261.23
XLogP	-5.3
Topological Polar Surface Area	173
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	18
Formal Charge	0
Complexity	356

SMILES

C(CC(=O)O)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C9H15N3O6/c10-4(3-6(11)13)8(16)12-5(9(17)18)1-2-7(14)15/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)/t4-,5-/m0/s1

InChIKey

IIFDPDVJAHQFSR-WHFBIAKZSA-N

Chemical Structure

2D Structure

CAS: 20917-58-2

CID: 7019991

Formula: C9H15N3O6

MW: 261.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	261.23
XLogP3	-5.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	261.09608521
Monoisotopic Mass	261.09608521
Topological Polar Surface Area	173 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	356
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FA108752-01	H-Asn-Pro-Glu-Tyr (PO3H2) -OH
FG108030-01	H-Glu (Glu-OH) -OH
FG108902-01	H-Glu-Glu-Glu-OH
FG108029-01	H-Glu-Glu-OH
FG108907-01	H-Glu (Glu (Gln-OH) -OH) -OH
FG108332-01	H-Glu (D-Glu-OH) -OH
FG108904-01	H-Glu (Glu (Glu-OH) -OH) -OH trifluoroacetate salt
FA110996-01	H-Asn-Gln-Glu-Gln-Glu (EDANS) -Arg-OH trifluoroacetate salt
FG110907-01	H-Glu-Asn-Asp-Tyr (PO3H2) -Ile-Asn-Ala-Ser-Leu-OH
FG108933-01	H-Glu-Tyr-Glu-OH

Catalog	Name
G-4075.1000	H-Asn-Glu-OH
GTR19150539-01	H-Asn-Pro-Glu-Tyr (PO3H2) -OH
H-2706.0005	H-Asn-Pro-Glu-Tyr(PO3H2)-OH
H-3165.0250	H-Glu(Glu(Glu-OH)-OH)-OH
4000639.1000	H-Glu (Glu-OH) -OH
4000639.025	H-Glu(Glu-OH)-OH
RM-T251940-01	Thymalfasin Impurity Glu-Asn-Oh
4000321.025	H-Glu-Glu-Glu-OH
4000466.1000	H-Glu-Glu-OH
H-3170.0250	H-Glu(Glu(Gln-OH)-OH)-OH