Cyclo (-L-Ala-L-Glu)

CAT: 0926-FC49929-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FC49929-01Size:10 mg

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CAS Number

16364-36-6

MDL Number

MFCD05663454

Smiles

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

Molecular Formula

C8H12N2O4

Molecular Weight

200.19 g/mol

Controlled

Chemical Information

3-((2S,5S)-5-Methyl-3,6-dioxopiperazin-2-yl)propanoic acid

CAS Number	16364-36-6
PubChem CID	9209571
IUPAC Name	3-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]propanoic acid
Molecular Formula	C8H12N2O4
Molecular Weight	200.19
XLogP	-1
Topological Polar Surface Area	95.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	277

SMILES

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

InChI

InChI=1S/C8H12N2O4/c1-4-7(13)10-5(8(14)9-4)2-3-6(11)12/h4-5H,2-3H2,1H3,(H,9,14)(H,10,13)(H,11,12)/t4-,5-/m0/s1

InChIKey

GWFWPFQFBPEFQN-WHFBIAKZSA-N

Chemical Structure

2D Structure

CAS: 16364-36-6

CID: 9209571

Formula: C8H12N2O4

MW: 200.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.19
XLogP3	-1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	200.07970687
Monoisotopic Mass	200.07970687
Topological Polar Surface Area	95.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	277
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
FC49420-01	Cyclo (L-Ala-L-Gly)
FC49427-01	Cyclo (-Gly-L-Glu)
FC108011-01	Cyclo (-Glu-Glu)
FC108330-01	Cyclo (-Ala-Gln)
PAA47478-01	Cyclo (Ala-Phe)
QDA82199-01	Cyclo (Ile-Ala)
WAA75426-01	Cyclo (Ala-Tyr)
BCD-3246	Cyclo (L-Pro-L-Pro)
FC110310-01	Cyclo (-D-Glu-Ala-D-allo-Ile-Leu-D-Trp)
PCI-3979-PI-01	H-Glu[Cyclo (Arg-Ala-Asp-D-Phe-Lys) ]2