Aureobasidin S1 (9CI) (153954-71-3)

Identification
Name:	Aureobasidin S1 (9CI)
Synonyms:	AureobasidinA, 5-[4-(methylsulfinyl)-L-2-aminobutanoic acid]-;1H,15H-Pyrrolo[1,2-m][1,4,7,10,13,16,19,22,25]oxaoctaazacycloheptacosine,cyclic peptide deriv.;Cyclo[(2S)-2-amino-4-(methylsulfinyl)butanoyl-N-methyl-L-valyl-L-leucyl-3-hydroxy-N-methyl-L-valyl-(2R,3R)-2-hydroxy-3-methylpentanoyl-N-methyl-L-valyl-L-phenylalanyl-N-methyl-L-phenylalanyl-L-prolyl];L-Valine, N-(2-hydroxy-3-methyl-1-oxopentyl)-N-methyl-L-valyl-L-phenylalanyl-N-methyl-L-phenylalanyl-L-prolyl-4-(methylsulfinyl)-L-2-aminobutanoyl-N-methyl-L-valyl-L-leucyl-3-hydroxy-N-methyl-,a1-lactone, [R-(R,R)]-
CAS:	153954-71-3
Molecular Formula:	C59H90 N8 O12 S
Molecular Weight:	0
InChI:	InChI=1/C59H90N8O12S/c1-16-38(8)48-57(75)65(13)47(37(6)7)52(70)62-43(33-39-24-19-17-20-25-39)54(72)63(11)45(34-40-26-21-18-22-27-40)56(74)67-30-23-28-44(67)50(68)60-41(29-31-80(15)78)53(71)64(12)46(36(4)5)51(69)61-42(32-35(2)3)55(73)66(14)49(58(76)79-48)59(9,10)77/h17-22,24-27,35-38,41-49,77H,16,23,28-34H2,1-15H3,(H,60,68)(H,61,69)(H,62,70)
Molecular Structure:
Properties
Flash Point:	738.3°C
Boiling Point:	1297.2°C at 760 mmHg
Density:	1.24g/cm³
Refractive index:	1.59
Flash Point:	738.3°C
Safety Data