Aureobasidin-A

(3S,6S,9S,12S,15S,18S,21S,24R,27S)-3,6-dibenzyl-12,24-bis[(2R)-butan-2-yl]-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18-(2-methylpropyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone

Also Known As: Basifungin|Aureobasidin A|Basifugin|Aureobasidin-A|Antibiotic R106I|Basifungin [USAN:INN]|KST-1A1034|Ly 295337|(2R,3R)-Hmp-MeVal-Phe-MePhe-Pro-alle-MeVal-Leucine-betaHOMeVal|(3r,6s,9s,12s,15s,18s,21s,24s,29as)-21,24-dibenzyl-3,15-di[(2r)-butan-2-yl]-12-(2-hydroxypropan-2-yl)-5,11,17,23-tetramethyl-9-(2-methylpropyl)-6,18-di(propan-2-yl)octadecahydro-1h,15h-pyrrolo[1,2-m][1,4,7,10,13,16,19,22,25]oxaoctaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonone|N-((2R,3R)-2-Hydroxy-3-methylvaleryl)-N-methyl-L-valyl-L-phenylalanyl-N-methyl-L-phenylalanyl-L-prolyl-L-alloisoleucyl-N-methyl-L-valyl-L-leucyl-3-hydroxy-N-methyl-L-valine alpha1-lactone|(2R,3R)2-Hydroxy-3-methylpentanoic acid-N-methylvaline-Phenylalanine-N-methylphenylalanine-Proline-alloisoleucine-Methylvaline-Leucine-betahydroxy-N-methylvaline|(3S,6S,9S,12S,15S,18S,21S,24R,27S)-3,6-dibenzyl-12,24-bis[(2R)-butan-2-yl]-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18-(2-methylpropyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone|Valine, 3-hydroxy-N-(N-(N-(N-(1-(N-(N-(N-(2-hydroxy-3-methyl-1-oxopentyl)-N-methylvalyl)phenylalanyl)-N-methylphenylalanyl)prolyl)alloisoleucyl)-N-methylvalyl)leucyl)-N-methyl-, alpha-1-lactone

Molecular Formula	C60H92N8O11
Molecular Weight	1100.6886 g/mol
LogP	4.37
Topological Polar Surface Area	235.38 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	13
Exact Mass	1100.6886
Heavy Atoms	79
Complexity	2430.1

Chemical Identifiers

CAS Number	127785-64-2
SMILES	CC[C@@H](C)[C@@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)[C@H](C)CC)C(C)(C)O)C)CC(C)C)C(C)C)C