CT-(8-32) (salmon)   Click here for help

GtoPdb Ligand ID: 690

Synonyms: CT (8-32) (salmon) | salmon calcitonin (8-32)
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)O)CO)C(O)C)CC(=O)N)C(O)C)CCCN=C(N)N)Cc1ccc(cc1)O)C(O)C)CCC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(C)C)NC(=O)C(CS)N)CC(C)C)CCCCN)CC(C)C)CO)CCC(=O)N)CCC(=O)O)CC(C)C)Cc1nc[nH]c1
Isomeric SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
InChI InChI=1S/C113H188N34O36S/c1-53(2)38-71(139-109(180)88(57(9)10)143-92(163)64(116)51-184)93(164)124-46-84(157)128-65(20-14-16-34-114)95(166)135-74(41-56(7)8)103(174)142-79(50-149)106(177)133-68(28-31-81(117)154)97(168)131-70(30-33-86(159)160)98(169)137-73(40-55(5)6)102(173)138-75(43-62-45-122-52-127-62)104(175)130-66(21-15-17-35-115)96(167)136-72(39-54(3)4)101(172)132-69(29-32-82(118)155)100(171)146-91(60(13)152)111(182)141-77(42-61-24-26-63(153)27-25-61)112(183)147-37-19-23-80(147)107(178)134-67(22-18-36-123-113(120)121)99(170)145-90(59(12)151)110(181)140-76(44-83(119)156)105(176)144-89(58(11)150)108(179)125-47-85(158)129-78(49-148)94(165)126-48-87(161)162/h24-27,45,52-60,64-80,88-91,148-153,184H,14-23,28-44,46-51,114-116H2,1-13H3,(H2,117,154)(H2,118,155)(H2,119,156)(H,122,127)(H,124,164)(H,125,179)(H,126,165)(H,128,157)(H,129,158)(H,130,175)(H,131,168)(H,132,172)(H,133,177)(H,134,178)(H,135,166)(H,136,167)(H,137,169)(H,138,173)(H,139,180)(H,140,181)(H,141,182)(H,142,174)(H,143,163)(H,144,176)(H,145,170)(H,146,171)(H,159,160)(H,161,162)(H4,120,121,123)/t58-,59-,60-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,88+,89+,90+,91+/m1/s1
InChI Key TXYDMAIIBMZDGF-UDXYTFIASA-N
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Compound class Peptide or derivative
International Nonproprietary Names Click here for help
INN number INN
2399 calcitonin
Synonyms Click here for help
CT (8-32) (salmon) | salmon calcitonin (8-32)
Database Links Click here for help
GtoPdb PubChem SID 135652065
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