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LY303336

CAT: 0013-GTR19197155-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197155-02Size:50 mg
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Description
LY303336
CAS Number
157187-00-3
Field of Research
Metabolism Research
Smiles
C ([C@@H] (CCCCCC) N1C=C (NC (=O) C2=C (S (=O) (=O) O) C=CC=C2) N=C1) (=O) N3[C@H] (C (O) =O) C[C@H] (OC4=CC=C (CP (=O) (O) O) C=C4) C3
Molecular Formula
C30H37N4O11PS
Molecular Weight
692.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY303336
CAS Number157187-00-3
PubChem CID10416728
IUPAC Name(2S,4S)-4-(4-carboxyphenoxy)-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC30H34N4O10S
Molecular Weight642.7
XLogP3.5
Topological Polar Surface Area214
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count45
Formal Charge0
Complexity1160
SMILES
CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC=C(C=C2)C(=O)O)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O
InChI
InChI=1S/C30H34N4O10S/c1-2-3-4-5-9-23(33-17-26(31-18-33)32-27(35)22-8-6-7-10-25(22)45(41,42)43)28(36)34-16-21(15-24(34)30(39)40)44-20-13-11-19(12-14-20)29(37)38/h6-8,10-14,17-18,21,23-24H,2-5,9,15-16H2,1H3,(H,32,35)(H,37,38)(H,39,40)(H,41,42,43)/t21-,23+,24-/m0/s1
InChIKey
HHFYOGBTLFTWQX-QTJGBDASSA-N
Chemical Structure
2D Structure
2D structure of LY303336
CAS: 157187-00-3
CID: 10416728
Formula: C30H34N4O10S
MW: 642.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight642.7
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass642.19956447
Monoisotopic Mass642.19956447
Topological Polar Surface Area214 Ų
Heavy Atom Count45
Formal Charge0
Complexity1160
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

Alternative Products

CatalogName
HY-117447LY303336

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