H-Leu-His-OH

CAT: 0926-FL108090Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FL108090Size:1 g

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CAS Number

38062-72-5

MDL Number

MFCD00037854

Smiles

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

Molecular Formula

C12H20N4O3

Molecular Weight

268.31 g/mol

Controlled

Chemical Information

H-Leu-his-OH

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

CAS Number	38062-72-5
PubChem CID	6992828
IUPAC Name	(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Molecular Formula	C12H20N4O3
Molecular Weight	268.31
XLogP	-2.2
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	19
Formal Charge	0
Complexity	322

SMILES

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

InChI

InChI=1S/C12H20N4O3/c1-7(2)3-9(13)11(17)16-10(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1

InChIKey

XWOBNBRUDDUEEY-UWVGGRQHSA-N

Chemical Structure

2D Structure

CAS: 38062-72-5

CID: 6992828

Formula: C12H20N4O3

MW: 268.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.31
XLogP3	-2.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	268.15354051
Monoisotopic Mass	268.15354051
Topological Polar Surface Area	121 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	322
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