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H-Ile-His-OH

CAT: 0121-4000894.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4000894.0001Size:1 g
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CAS Number
97284-12-3
Specifications
G-2400.0001
Sequence
H-Ile-His-OH
Molecular Formula
C₁₂H₂₀N₄O₃
Molecular Weight
268.32
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Ile-His

Ile-His is a dipeptide composed of L-isoleucine and L-histidine joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a L-histidine and a L-isoleucine.

CAS Number97284-12-3
PubChem CID7019081
IUPAC Name(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Molecular FormulaC12H20N4O3
Molecular Weight268.31
XLogP-2.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity324
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)N
InChI
InChI=1S/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(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)/t7-,9-,10-/m0/s1
InChIKey
QNBYCZTZNOVDMI-HGNGGELXSA-N
Chemical Structure
2D Structure
2D structure of Ile-His
CAS: 97284-12-3
CID: 7019081
Formula: C12H20N4O3
MW: 268.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.31
XLogP3-2.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass268.15354051
Monoisotopic Mass268.15354051
Topological Polar Surface Area121 Ų
Heavy Atom Count19
Formal Charge0
Complexity324
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

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