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Dolastatin 10 1mg

CAT: 0628-A21273-1Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
110417-88-4

Chemical Information

Dolastatin 10

Dolastatin 10 is a tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization. It has a role as an antineoplastic agent, a microtubule-destabilising agent, an apoptosis inducer, an animal metabolite and a marine metabolite. It is a member of 1,3-thiazoles and a tetrapeptide. It is functionally related to a L-valine.

CAS Number110417-88-4
PubChem CID9810929
IUPAC Name(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
Molecular FormulaC42H68N6O6S
Molecular Weight785.1
XLogP5.8
Topological Polar Surface Area162
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count55
Formal Charge0
Complexity1220
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C
InChI
InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1
InChIKey
OFDNQWIFNXBECV-VFSYNPLYSA-N
Chemical Structure
2D Structure
2D structure of Dolastatin 10
CAS: 110417-88-4
CID: 9810929
Formula: C42H68N6O6S
MW: 785.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight785.1
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass784.49210508
Monoisotopic Mass784.49210508
Topological Polar Surface Area162 Ų
Heavy Atom Count55
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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