(SER(1)-ADMADDA(5))MICROSYSTIN-LR


CAS No. : 141634-76-6

(SER(1)-ADMADDA(5))MICROSYSTIN-LR,141634-76-6
Product Details
Cat No:M099129
Synonyms:(SER(1)-ADMADDA(5))MICROSYSTIN-LR
Molecular Formula:C50H74N10O14
Molecular Weight:1039.198
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Cat No:M099129
Cas No:141634-76-6
Product-Name:(SER(1)-ADMADDA(5))MICROSYSTIN-LR
IUPAC Name:(5R,8R,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-15-[3-(diaminomethylideneamino)propyl]-5-(hydroxymethyl)-1,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
InChI:InChI=1S/C50H74N10O14/c1-26(2)22-37-46(68)59-41(49(72)73)30(6)43(65)55-35(16-13-21-53-50(51)52)45(67)54-34(18-17-27(3)23-28(4)39(74-32(8)62)24-33-14-11-10-12-15-33)29(5)42(64)56-36(48(70)71)19-20-40(63)60(9)31(7)44(66)58-38(25-61)47(69)57-37/h10-12,14-15,17-18,23,26,28-30,34-39,41,61H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,54,67)(H,55,65)(H,56,64)(H,57,69)(H,58,66)(H,59,68)(H,70,71)(H,72,73)(H4,51,52,53)/b18-17+,27-23+/t28-,29-,30-,34-,35-,36+,37+,38+,39-,41+/m0/s1
InChIKey:LIAFLGINUNSQGF-QKKGDWEISA-N
SMILES:CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)CO)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC(=O)C)C
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