| Catalog Number |
ACM157207904 |
| CAS |
157207-90-4 |
| Description |
Hemiasterlin is an antimitotic marine natural product with potent anticancer effcts. |
| Synonyms |
Milnamide B |
| IUPAC Name |
(E,4S)-4-[[(2S)-3,3-Dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid |
| Molecular Weight |
526.7 |
| Canonical SMILES |
CC(C)C(C=C(C)C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C1=CN(C2=CC=CC=C21)C)NC |
| InChI |
InChI=1S/C30H46N4O4/c1-18(2)23(16-19(3)28(37)38)34(11)27(36)25(29(4,5)6)32-26(35)24(31-9)30(7,8)21-17-33(10)22-15-13-12-14-20(21)22/h12-18,23-25,31H,1-11H3,(H,32,35)(H,37,38)/b19-16+/t23-,24-,25-/m1/s1 |
| InChI Key |
KQODQNJLJQHFQV-MKWZWQCGSA-N |
| Purity |
95%+ |
| Complexity |
891 |
| Covalently-Bonded Unit Count |
1 |
| Defined Atom Stereocenter Count |
3 |
| Exact Mass |
526.35190596 |
| Heavy Atom Count |
38 |
| Isomeric SMILES |
CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C1=CN(C2=CC=CC=C21)C)NC |
| Monoisotopic Mass |
526.35190596 |
| Physical State |
Powder |
| Storage Conditions |
Powder: -20°C for 3 years
In solvent: -80°C for 2 years |
| Topological Polar Surface Area |
104 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.
