Lyngbyastatin 1

2-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone

Also Known As: Lyngbyastatin 1|2-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone

Molecular Formula	C51H82N8O12
Molecular Weight	998.6052 g/mol
LogP	5.3
Topological Polar Surface Area	250.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	998.6052
Monoisotopic Mass	998.6052
Heavy Atoms	71
Complexity	1900.0

Chemical Identifiers

CAS Number	213530-40-6
SMILES	CCC1C(C(=O)OC(C(=O)NCC(=O)N(C(C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)C(C(=O)N(C(C(=O)N1)C)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)C(C)CC)C
InChIKey	MKKWMLGEOYGWEO-UHFFFAOYSA-N