His-Leu-OH

CAT: 0024-sc-471229Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-471229Size:100 mg

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CAS Number

7763-65-7

Chemical Information

L-histidyl-L-leucine

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

CAS Number	7763-65-7
PubChem CID	189008
IUPAC Name	(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic 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)O)NC(=O)[C@H](CC1=CN=CN1)N

InChI

InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)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

MMFKFJORZBJVNF-UWVGGRQHSA-N

Chemical Structure

2D Structure

CAS: 7763-65-7

CID: 189008

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