glucagon-(1-21)   Click here for help

GtoPdb Ligand ID: 1146

Synonyms: glucagon 1-21
Comment: N-terminal fragment of glucagon prepared by treating the native peptide with carboxypeptidase A
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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)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)CCC(=O)N)C)CCCN=C(N)N)CCCN=C(N)N)CO)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CCC(=O)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO
Isomeric SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChI InChI=1S/C104H156N32O38/c1-48(2)33-64(90(161)127-69(39-79(150)151)94(165)133-73(45-139)98(169)122-61(17-12-32-115-104(111)112)87(158)120-60(16-11-31-114-103(109)110)86(157)118-49(3)83(154)119-63(27-29-76(108)146)89(160)130-70(102(173)174)40-80(152)153)124-91(162)65(35-53-18-22-56(143)23-19-53)125-88(159)59(15-9-10-30-105)121-97(168)72(44-138)132-92(163)66(36-54-20-24-57(144)25-21-54)126-93(164)68(38-78(148)149)128-99(170)74(46-140)134-101(172)82(51(5)142)136-95(166)67(34-52-13-7-6-8-14-52)129-100(171)81(50(4)141)135-77(147)42-116-85(156)62(26-28-75(107)145)123-96(167)71(43-137)131-84(155)58(106)37-55-41-113-47-117-55/h6-8,13-14,18-25,41,47-51,58-74,81-82,137-144H,9-12,15-17,26-40,42-46,105-106H2,1-5H3,(H2,107,145)(H2,108,146)(H,113,117)(H,116,156)(H,118,157)(H,119,154)(H,120,158)(H,121,168)(H,122,169)(H,123,167)(H,124,162)(H,125,159)(H,126,164)(H,127,161)(H,128,170)(H,129,171)(H,130,160)(H,131,155)(H,132,163)(H,133,165)(H,134,172)(H,135,147)(H,136,166)(H,148,149)(H,150,151)(H,152,153)(H,173,174)(H4,109,110,114)(H4,111,112,115)/t49-,50+,51+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,81-,82-/m0/s1
InChI Key HTKQXZVWMVGUHF-XCHZYIBMSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
glucagon 1-21
Database Links Click here for help
GtoPdb PubChem SID 135652171
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