CAT No: M34140626H
CAS No: 619300-53-7
Synonyms/Alias: Dotanoc;DOTA-NOC;DOTA-nal3-octreotide;1IIY9GZY9U;UNII-1IIY9GZY9U;619300-53-7;L-Cysteinamide, N-(2-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl)acetyl)-D-phenylalanyl-L-cysteinyl-3-(1-naphthalenyl)-L-alanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2->7)-disulfide;CHEMBL4297373;HY-P2112;CS-0108508;
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M.F/Formula | C69H94N14O17S2 |
M.W/Mr. | 1455.7 |
Sequence | Sequence: DOTA-D-Phe-Cys-Nal-D-Trp-Lys-Thr-Cys-Thr(ol), cyclic disulfide Cys2,7 |
InChI | InChI=1S/C69H94N14O17S2/c1-42(85)55(39-84)76-68(99)57-41-102-101-40-56(77-64(95)52(31-44-13-4-3-5-14-44)72-58(87)35-80-23-25-81(36-59(88)89)27-29-83(38-61(92)93)30-28-82(26-24-80)37-60(90)91)67(98)75-53(32-46-17-12-16-45-15-6-7-18-48(45)46)66(97)74-54(33-47-34-71-50-20-9-8-19-49(47)50)65(96)73-51(21-10-11-22-70)63(94)79-62(43(2)86)69(100)78-57/h3-9,12-20,34,42-43,51-57,62,71,84-86H,10-11,21-33,35-41,70H2,1-2H3,(H,72,87)(H,73,96)(H,74,97)(H,75,98)(H,76,99)(H,77,95)(H,78,100)(H,79,94)(H,88,89)(H,90,91)(H,92,93)/t42-,43-,51+,52-,53+,54-,55-,56+,57+,62+/m1/s1 |
InChI Key | PZCJTYVWTGPGOH-OKVMNLLFSA-N |
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