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VA50731 DOTATOC

Product Name DOTATOC
Catalog No. VA50731
CAS No. 204318-14-9
Molecular Formula C65H92N14O18S2
Molecular Weight 1421.63898
Synonyms DOTA-D-PHE-CYS-TYR-D-TRP-LYS-THR-CYS-THR-OL
Smile Code NCCCCC1NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CSSCC(C(=O)NC(CO)C(C)O)NC(=O)C(C(C)O)NC1=O)NC(=O)C(CC3=CC=CC=C3)NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)CC5C6C(=CC=CC=6)NC=5
InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)
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