GAMMA-AMANITIN

2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide

Also Known As: GAMMA-AMANITIN|??-Amanitin|...Gamma-amanitin|(S)-3-(4-hydroxy-L-isoleucine)-alpha-amanitin|alpha-Amanitin, 3-(4-hydroxy-L-isoleucine)-, (S)-|2-[34-Butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide|2-[(1R,4S,10S,13S,16S,34S)-34-Butan-2-yl-8,22-dihydroxy-13-[(2R,3R)-3-hydroxybutan-2-yl]-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide|2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-8,22-dihydroxy-13-[(2R,3S)-3-hydroxybutan-2-yl]-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0,(1).0(1),(2).0(1),(2)]nonatriaconta-18(26),19,21,23-tetraen-4-y|9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1',2':8,9)(1,5,8,11,14)thiatetraazacyclooctadecino(18,17-b)indole-6-acetamide, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-29-sec-butyl-2,14-dihydroxy-21-(2-hydroxy-1-methylpropyl)-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide

Molecular Formula	C39H54N10O13S
Molecular Weight	902.35925 g/mol
LogP	-4.89
Topological Polar Surface Area	360.65 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	13
Rotatable Bonds	6
Exact Mass	902.35925
Heavy Atoms	63
Complexity	2181.6

Chemical Identifiers

CAS Number	21150-23-2
SMILES	CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(C)O)C5=C(N3)C=C(C=C5)O