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Chemical structure of Dolastatin 15

GA21397

Dolastatin 15

Also known as [(2S)-1-[(2S)-2-benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate

Dolastatin 15 originally isolated from the sea hare Dolabella auricularia belongs to a family of antimitotic and antineoplastic depsipeptides inducing apoptosis in various malignant cell types· It was shown to inhibit the growth of the P388 lymphocytic leukemia cell line efficiently, with an ED?? value of 2·4 ng/mL

ChemicalCAS123884-00-4MW837.07FormulaC45H68N6O9
CAS number
123884-00-4
Molecular weight
837.07
Formula
C45H68N6O9
Solubility
Methanol： soluble
InChIKey
LQKSHSFQQRCAFW-CCVNJFHASA-N
Catalogue number
GA21397
Brand
GLPBIO
Computed properties PubChem CID 9918978 · XLogP 5.7 · TPSA 166 Ų · H-bond donors 1
XLogP
5.7
TPSA
166 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
18
Heavy atoms
60

SMILES CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@@H](C(C)C)C(=O)N3[C@H](C(=CC3=O)OC)CC4=CC=CC=C4)NC(=O)[C@H](C(C)C)N(C)C

Computed descriptors from PubChem (CID 9918978), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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