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ISS-221

CAT: 0013-GTR19194247Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194247Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ISS-221 is a bioactive small molecule compound utilized in biochemical research. It has been employed in both in vitro and in vivo studies to investigate cellular signaling pathways and evaluate potential therapeutic effects in preclinical models.
CAS Number
725233-59-0
Smiles
[C@@H] (CC1=CC=C (OP (=O) (O) O) C=C1) (NC (=O) C2=C (C) N=CC=C2) C (N[C@@H] (CC (C) C) C (O) =O) =O
Molecular Formula
C22H28N3O8P
Molecular Weight
493.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

L-Leucine, N-((2-methyl-3-pyridinyl)carbonyl)-O-phosphono-L-tyrosyl-
CAS Number725233-59-0
PubChem CID72941851
IUPAC Name(2S)-4-methyl-2-[[(2S)-2-[(2-methylpyridine-3-carbonyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid
Molecular FormulaC22H28N3O8P
Molecular Weight493.4
XLogP1.5
Topological Polar Surface Area175
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity750
SMILES
CC1=C(C=CC=N1)C(=O)N[C@@H](CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
InChI
InChI=1S/C22H28N3O8P/c1-13(2)11-19(22(28)29)25-21(27)18(24-20(26)17-5-4-10-23-14(17)3)12-15-6-8-16(9-7-15)33-34(30,31)32/h4-10,13,18-19H,11-12H2,1-3H3,(H,24,26)(H,25,27)(H,28,29)(H2,30,31,32)/t18-,19-/m0/s1
InChIKey
ICNHZQNUQZCDSZ-OALUTQOASA-N
Chemical Structure
2D Structure
2D structure of L-Leucine, N-((2-methyl-3-pyridinyl)carbonyl)-O-phosphono-L-tyrosyl-
CAS: 725233-59-0
CID: 72941851
Formula: C22H28N3O8P
MW: 493.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.4
XLogP31.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass493.16140186
Monoisotopic Mass493.16140186
Topological Polar Surface Area175 Ų
Heavy Atom Count34
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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