Ternatin

(3S,6S,9S,12S,15R,18R,21R)-15-[(2R)-butan-2-yl]-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone

Also Known As: Ternatin|Ternatin heptapeptide|(3S,6S,9S,12S,15R,18R,21R)-15-[(2R)-butan-2-yl]-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone|(3S,6S,9S,12S,15R,18R,21R)-18-[(1R)-1-hydroxy-2-methyl-propyl]-6,9-diisobutyl-1,3,4,10,12,13,21-heptamethyl-15-[(1R)-1-methylpropyl]-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone|Cyclo[N-methyl-D-alanyl-(3R)-3-hydroxy-D-leucyl-D-isoleucyl-N-methyl-L-alanyl-N-methyl-L-leucyl-L-leucyl-N-methyl-L-alanyl]

Molecular Formula	C37H67N7O8
Molecular Weight	737.5051 g/mol
LogP	0.9773
Topological Polar Surface Area	188.77 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	737.5051
Monoisotopic Mass	737.5051
Heavy Atoms	52
Complexity	1290.3344

Chemical Identifiers

CAS Number	571-71-1
SMILES	CC[C@@H](C)[C@@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N1)[C@@H](C(C)C)O)C)C)C)C)CC(C)C)CC(C)C)C)C)C