Boc-Ala-D-Glu-NH2

CAT: 0926-FB111202-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FB111202-01Size:500 mg

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CAS Number

18814-50-1

MDL Number

MFCD00078952

Smiles

C[C@@H] (C (=O) N[C@H] (CCC (=O) O) C (=O) N) NC (=O) OC (C) (C) C

Molecular Formula

C13H23N3O6

Molecular Weight

317.34 g/mol

Controlled

Chemical Information

N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine

CAS Number	18814-50-1
PubChem CID	7020895
IUPAC Name	(4R)-5-amino-4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-oxopentanoic acid
Molecular Formula	C13H23N3O6
Molecular Weight	317.34
XLogP	-0.5
Topological Polar Surface Area	148
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	22
Formal Charge	0
Complexity	444

SMILES

C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H23N3O6/c1-7(15-12(21)22-13(2,3)4)11(20)16-8(10(14)19)5-6-9(17)18/h7-8H,5-6H2,1-4H3,(H2,14,19)(H,15,21)(H,16,20)(H,17,18)/t7-,8+/m0/s1

InChIKey

HQRBWYFVNGVLSK-JGVFFNPUSA-N

Chemical Structure

2D Structure

CAS: 18814-50-1

CID: 7020895

Formula: C13H23N3O6

MW: 317.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.34
XLogP3	-0.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	317.15868546
Monoisotopic Mass	317.15868546
Topological Polar Surface Area	148 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	444
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
FB111198-01	Boc-Ala-D-Glu (OBzl) -NH2
FA107965	H-Ala-D-Glu-NH2
FA107947-01	Ac-muramyl-D-Ala-D-Glu-NH2
FB72151-01	Boc-Ala-NH2
FA107946-01	Ac-muramyl-Ala-Glu-NH2
FA107948-01	Ac- (6-O-stearoyl) -muramyl-Ala-D-Glu-NH2
FA110464-01	Ac-muramyl-Ala-D-Glu (Lys (stearoyl) -OH) -NH2
FA108667-01	H-Ala-D-Glu (Lys-D-Ala-D-Ala-OH) -OH
FA109797-01	Ac-alpha-benzyl-muramyl-Ala-D-Glu (Lys (trans- (3-nitrocinnamoyl) ) -NH2) -NH2
MER-3134-V	Boc-Glu (OBzl) -Ala-Arg-MCA