913556-62-4 ((Hynic-toc)

Hynic-toc;913556-62-4;N-((6-Hydrazinyl-3-pyridinyl)carbonyl)-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2->7)-disulfide;UNII-XBO8UII5SV;XBO8UII5SV;Hydrazinonicotinyl-Tyr3-octreotide;

WJBPMDZACHSXSD-HLAGHTPDSA-N

1S/C55H71N13O12S2/c1-30(70)43(27-69)64-54(79)45-29-82-81-28-44(65-51(76)40(22-32-10-4-3-5-11-32)61-48(73)34-17-20-46(68-57)59-25-34)53(78)62-41(23-33-15-18-36(72)19-16-33)50(75)63-42(24-35-26-58-38-13-7-6-12-37(35)38)52(77)60-39(14-8-9-21-56)49(74)67-47(31(2)71)55(80)66-45/h3-7,10-13,15-20,25-26,30-31,39-45,47,58,69-72H,8-9,14,21-24,27-29,56-57H2,1-2H3,(H,59,68)(H,60,77)(H,61,73)(H,62,78)(H,63,75)(H,64,79)(H,65,76)(H,66,80)(H,67,74)/t30-,31-,39+,40-,41+,42-,43-,44+,45+,47+/m1/s1

S1C[C@@H](C(N[C@H](CO)[C@@H](C)O)=O)NC([C@H]([C@@H](C)O)NC([C@H](CCCCN)NC([C@@H](CC2=CNC3C=CC=CC2=3)NC([C@H](CC2C=CC(=CC=2)O)NC([C@H](CS1)NC([C@@H](CC1C=CC=CC=1)NC(C1C=NC(=CC=1)NN)=O)=O)=O)=O)=O)=O)=O