Preprothyrotropin-releasing hormone (178-199)
[CAS# 122018-92-2]

Identification

• Name: Preprothyrotropin-releasing hormone (178-199)
• Synonyms: Prepro-Thyrotropin-Releasing Hormone (178-199); Prepro-Trh (178-199); Preprothyrotropin-Releasing Hormone (178-199)
• Molecular Formula: C₁₁₆H₁₇₆N₂₈O₃₉S
• Molecular Weight: 2618.89
• CAS Registry Number: 122018-92-2
• SMILES: [C@@H]2(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@H](CC)C)CC(=O)O)CCC2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC3=C[NH]C4=C3C=CC=C4)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CCC5)CCSC)CC(C)C)C(C)C)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)O)CCC(=O)O)CO)CCCNC(=N)N)CCC(=O)N)CC(C)C)CCC(=O)O
• InChI: 1S/C116H176N28O39S/c1-10-61(8)95(142-96(163)65(118)51-62-21-12-11-13-22-62)112(179)139-80(53-93(161)162)114(181)144-47-20-27-82(144)109(176)133-74(34-41-91(157)158)104(171)136-77(49-58(2)3)105(172)131-71(29-36-84(119)146)101(168)128-68(26-18-45-122-116(120)121)100(167)140-81(57-145)108(175)137-79(52-63-54-123-66-24-15-14-23-64(63)66)107(174)132-73(33-40-90(155)156)103(170)130-72(32-39-89(153)154)102(169)127-67(25-16-17-44-117)99(166)129-70(31-38-88(151)152)98(165)124-55-85(147)126-69(30-37-87(149)150)97(164)125-56-86(148)141-94(60(6)7)111(178)138-78(50-59(4)5)106(173)134-75(43-48-184-9)113(180)143-46-19-28-83(143)110(177)135-76(115(182)183)35-42-92(159)160/h11-15,21-24,54,58-61,65,67-83,94-95,123,145H,10,16-20,25-53,55-57,117-118H2,1-9H3,(H2,119,146)(H,124,165)(H,125,164)(H,126,147)(H,127,169)(H,128,168)(H,129,166)(H,130,170)(H,131,172)(H,132,174)(H,133,176)(H,134,173)(H,135,177)(H,136,171)(H,137,175)(H,138,178)(H,139,179)(H,140,167)(H,141,148)(H,142,163)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,182,183)(H4,120,121,122)/t61-,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,94-,95-/m0/s1
• InChIKey: ICAYDYVQHKWGMZ-VIAQXQIWSA-N