Cyclo (-Glu-Glu)

CAT: 0024-sc-285313Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-285313Size:50 mg

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CAS Number

16691-00-2

Chemical Information

AC1Olrh5

CAS Number	16691-00-2
PubChem CID	7408481
IUPAC Name	3-[(2S,5S)-5-(2-carboxyethyl)-3,6-dioxopiperazin-2-yl]propanoic acid
Molecular Formula	C10H14N2O6
Molecular Weight	258.23
XLogP	-1.5
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	18
Formal Charge	0
Complexity	345

SMILES

C(CC(=O)O)[C@H]1C(=O)N[C@H](C(=O)N1)CCC(=O)O

InChI

InChI=1S/C10H14N2O6/c13-7(14)3-1-5-9(17)12-6(10(18)11-5)2-4-8(15)16/h5-6H,1-4H2,(H,11,18)(H,12,17)(H,13,14)(H,15,16)/t5-,6-/m0/s1

InChIKey

NDCKGUDRHBPJAQ-WDSKDSINSA-N

Chemical Structure

2D Structure

CAS: 16691-00-2

CID: 7408481

Formula: C10H14N2O6

MW: 258.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.23
XLogP3	-1.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	258.08518617
Monoisotopic Mass	258.08518617
Topological Polar Surface Area	133 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	345
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
4003229.0050	Cyclo (-Glu-Glu)
4003229.025	Cyclo(-Glu-Glu)
4035536.0250	Cyclo (-Ala-Glu)
G-4290.1000	Cyclo(-Glu-Gly)
4035536.025	Cyclo(-Ala-Glu)
HY-131110-01	Cyclo (Ala-Glu)
445238-01	Cyclo (-Gly-L-Glu)
269775-01	Cyclo (-L-Ala-L-Glu)
AR-P01446-01	Cyclo-L-Ala-L-Glu (OH)
PCI-3975-PI-01	H-Glu{Glu[Cyclo (Arg-Gly-Asp-D-Phe-Lys) ]2}2