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Antitumor agent-2

CAT: 1410-M32783-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M32783-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Antitumor agent-2 has anti-inflammatory and anti-tumor activity and can be used to study cancer.
CAS Number
1351163-57-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
558.71
Molecular Formula
C33H42N4O4
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Antitumor agent-2
CAS Number1351163-57-9
PubChem CID139035089
IUPAC Namebenzyl (2S)-2-[[(2S)-2-[(15S)-12,12-dimethyl-14-oxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]-4-methylpentanoyl]amino]-3-methylbutanoate
Molecular FormulaC33H42N4O4
Molecular Weight558.7
XLogP5.9
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity961
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1)N2C(=O)[C@@H]3CC4=C(CN3C2(C)C)NC5=CC=CC=C45
InChI
InChI=1S/C33H42N4O4/c1-20(2)16-27(30(38)35-29(21(3)4)32(40)41-19-22-12-8-7-9-13-22)37-31(39)28-17-24-23-14-10-11-15-25(23)34-26(24)18-36(28)33(37,5)6/h7-15,20-21,27-29,34H,16-19H2,1-6H3,(H,35,38)/t27-,28-,29-/m0/s1
InChIKey
HAPJKINXPAVZDU-AWCRTANDSA-N
Chemical Structure
2D Structure
2D structure of Antitumor agent-2
CAS: 1351163-57-9
CID: 139035089
Formula: C33H42N4O4
MW: 558.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.7
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass558.32060583
Monoisotopic Mass558.32060583
Topological Polar Surface Area94.7 Ų
Heavy Atom Count41
Formal Charge0
Complexity961
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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