913178-65-1 ((Microcystin-HtyR [D-Asp3, (E)-Dhb7))

Microcystin-HtyR [D-Asp3, (E)-Dhb7);Cyclo[D-alanyl-(αS)-α-amino-4-hydroxybenzenebutanoyl-L-β-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl-D-γ-glutamyl-(2Z)-2-amino-2-butenoyl] (9CI);

VRSPDCJDWOZKSK-DONCBXEASA-N

1S/C52H72N10O13/c1-7-36-47(68)56-32(5)46(67)60-39(22-18-33-16-19-35(63)20-17-33)49(70)62-41(51(73)74)28-44(65)58-38(14-11-25-55-52(53)54)48(69)59-37(31(4)45(66)61-40(50(71)72)23-24-43(64)57-36)21-15-29(2)26-30(3)42(75-6)27-34-12-9-8-10-13-34/h7-10,12-13,15-17,19-21,26,30-32,37-42,63H,11,14,18,22-25,27-28H2,1-6H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,67)(H,61,66)(H,62,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-15+,29-26+,36-7-/t30-,31-,32+,37-,38-,39-,40+,41-,42-/m0/s1

C([C@]1([H])NC([C@H](NC(/C(/NC(CC[C@@H](NC(=O)[C@@H](C)[C@H](/C=C/C(/C)=C/[C@H](C)[C@@H](OC)CC2C=CC=CC=2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H](C(=O)O)NC1=O)C(=O)O)=O)=C/C)=O)C)=O)CC1C=CC(O)=CC=1