H-His-Ala-OH

CAT: 0926-FH108061-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FH108061-01Size:100 mg

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CAS Number

16874-75-2

MDL Number

MFCD00055955

Smiles

C[C@@H] (C (=O) O) NC (=O) [C@H] (CC1=CN=CN1) N

Molecular Formula

C9H14N4O3

Molecular Weight

226.23 g/mol

Controlled

Chemical Information

Histidylalanine

His-Ala is a dipeptide formed from L-histidine and L-alanine residues. It has a role as a metabolite. It is a tautomer of a His-Ala zwitterion.

CAS Number	16874-75-2
PubChem CID	101180
IUPAC Name	(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
Molecular Formula	C9H14N4O3
Molecular Weight	226.23
XLogP	-3.5
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	271

SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)N

InChI

InChI=1S/C9H14N4O3/c1-5(9(15)16)13-8(14)7(10)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,7-/m0/s1

InChIKey

FRJIAZKQGSCKPQ-FSPLSTOPSA-N

Chemical Structure

2D Structure

CAS: 16874-75-2

CID: 101180

Formula: C9H14N4O3

MW: 226.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.23
XLogP3	-3.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	226.10659032
Monoisotopic Mass	226.10659032
Topological Polar Surface Area	121 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	271
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
FA107964-01	H-Ala-His-OH
FA108397-01	H-Ala-Ala-Ala-Ala-OH
FA108401-01	H-Ala-Ala-Ala-Ala-Ala-OH
FA109494-01	H-Ala-His-Ala-OH acetate salt
FA108447-01	H-Ala-Ala-Pro-Ala-OH
FA108434-01	H-Ala-Ala-Ala-Tyr-OH
FA108405-01	H-Ala-Ala-Ala-Ala-Ala-Ala-OH
BA184291-01	H-Ala-Ala-Ala-OH trifluroacetate
FA108477-01	H-Ala-Pro-Ala-OH
FA108381-01	H-Ala-Gly-Ala-Ala-OH