Hemiasterlin

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