Microcystin YR

(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid

Also Known As: Microcystin YR|Microcystin-YR|Cyanoginosin YR|Cyanoginosin-YR|Microcystin LR|MCYR|MC-YR|Cyanoginosin LA, 3-tyrosyl-5-arginine-|cyanoginosin LA, 3-L-tyrosyl-5-L-arginine|MSK001280-10M|Cyanoginosin LA, 3-L-tyrosine-5-L-arginine|Microcystin YR from Microcystis aeruginosa|Microcystin YR Solution in Methanol, 10ug/mL|Microcystin-YR, ca. 11ug/ml in 50% acetonitrile|18-hydroxy-17-noraphidicolan-16-one ethylene acetal|CYANOGINOSIN LA, 3-L-TYROSINE-5-L-ARGININE-|(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid|(5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-(diaminomethylideneamino)propyl)-8-((4-hydroxyphenyl)methyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid|(5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-Carbamimidamidopropyl)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid|(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(Carbamimidoylamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid|15-(3-((diaminomethylidene)amino)propyl)-8-((4-hydroxyphenyl)methyl)-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid|621-458-3|CYCLO(2,3-DIDEHYDRO-N-METHYLALANYL-D-ALANYL-L-TYROSYL-(3S)-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-4,6-DECADIENOYL-D-.GAMMA.-GLUTAMYL)|CYCLO(2,3-DIDEHYDRO-N-METHYLALANYL-D-ALANYL-L-TYROSYL-ERYTHRO-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-4,5,6,7-TETRADEHYDRO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-3-AMINODECANOYL-D-.GAMMA.-GLUTAMYL)|Cyclo[2,3-didehydro-N-methylalanyl-D-alanyl-L-tyrosyl-(3S)-3-methyl-D-.beta.-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl-D-.gamma.-glutamyl]|N-METHYLCYCLO(DHA-D-ALA-L-TYR-((3S)-3-METHYL-D-BETAASP-)-L-ARG-((2S,3S)-2-METHYL-3-((1E,3E,5S,6S)-3,5-DIMETHYL-6-METHOXY-7-PHENYLHEPTA-1,3-DIENE-1-YL)-BETAALA-)-D-GAMMAGLU-)

Molecular Formula	C52H72N10O13
Molecular Weight	1044.5281 g/mol
LogP	0.5206
Topological Polar Surface Area	363.37 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	12
Rotatable Bonds	15
Exact Mass	1044.5281
Monoisotopic Mass	1044.5281
Heavy Atoms	75
Complexity	2460.0845

Chemical Identifiers

CAS Number	101064-52-2
SMILES	C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC2=CC=C(C=C2)O)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC3=CC=CC=C3)OC)/C