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HAE 50mg

CAT: 0628-A16910-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A16910-50Size:50 mg
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CAS Number
64111-99-5

Chemical Information

His-Ala-Glu

His-Ala-Glu is a tripeptide.

CAS Number64111-99-5
PubChem CID131801121
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]pentanedioic acid
Molecular FormulaC14H21N5O6
Molecular Weight355.35
XLogP-4.3
Topological Polar Surface Area188
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity514
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CN=CN1)N
InChI
InChI=1S/C14H21N5O6/c1-7(12(22)19-10(14(24)25)2-3-11(20)21)18-13(23)9(15)4-8-5-16-6-17-8/h5-7,9-10H,2-4,15H2,1H3,(H,16,17)(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t7-,9-,10-/m0/s1
InChIKey
AFPFGFUGETYOSY-HGNGGELXSA-N
Chemical Structure
2D Structure
2D structure of His-Ala-Glu
CAS: 64111-99-5
CID: 131801121
Formula: C14H21N5O6
MW: 355.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight355.35
XLogP3-4.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass355.14918341
Monoisotopic Mass355.14918341
Topological Polar Surface Area188 Ų
Heavy Atom Count25
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes