DOTA-[TYR3]-OCTREOTIDE_Chemical Cloud Database

DOTA-[TYR3]-OCTREOTIDE

Basic Information
Product Name：	DOTA-[TYR3]-OCTREOTIDE
English Synonyms：	DOTA-D-PHE-CYS-TYR-D-TRP-LYS-THR-CYS-THREONINOL ; DOTA-[TYR3]-OCTREOTIDE ; DOTA-DPHE-CYS-PHE-DTRP-LYS-THR-CYS-THR-OL ; [DOTA-DPHE1, TYR3]OCTREOTIDE ; DOTA-FCYWKTCT-OL (DISULFIDE BRIDGE: 2-7) ; EDOTREOTIDE ; DOTATOC ; DOTA-D-PHE-CYS-TYR-D-TRP-LYS-THR-CYS-THR-OL (DISULFIDE BRIDGE: 2-7)
MDL Number.：	MFCD08458749
H bond acceptor：	32
H bond donor：	17
Smile：	C[C@H]([C@@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CS)NC(=O)[C@@H](Cc4ccccc4)NC(=O)CN5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O)O
InChi：	InChI=1S/C65H94N14O18S2/c1-39(81)51(36-80)72-64(96)53(38-99)74-65(97)58(40(2)82)75-59(91)47(14-8-9-19-66)69-62(94)50(30-43-31-67-46-13-7-6-12-45(43)46)71-61(93)49(29-42-15-17-44(83)18-16-42)70-63(95)52(37-98)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/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83,98-99H,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)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1
InChiKey：	InChIKey=LJYSOQGYCXBVPL-AAXZNHDCSA-N

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