motilin-(1-19) (human)   Click here for help

GtoPdb Ligand ID: 1463

Synonyms: motilin1-19 (human)
Comment: Synthetic fragment of human motilin
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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)O)CC(=O)N)CCCN=C(N)N)CCC(=O)O)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(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCN=C(N)N)CCSC)CCC(=O)N)CCC(=O)O
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O
InChI InChI=1S/C107H165N29O31S/c1-9-57(6)86(134-101(162)77-28-20-47-136(77)104(165)85(56(4)5)133-88(149)63(109)50-59-21-12-10-13-22-59)102(163)131-75(51-60-23-14-11-15-24-60)100(161)135-87(58(7)137)103(164)130-74(52-61-29-31-62(138)32-30-61)89(150)119-54-81(142)120-67(35-40-82(143)144)93(154)129-73(49-55(2)3)99(160)127-69(34-39-79(111)140)94(155)122-65(26-18-45-117-106(113)114)91(152)128-72(43-48-168-8)98(159)124-68(33-38-78(110)139)95(156)126-71(37-42-84(147)148)96(157)121-64(25-16-17-44-108)90(151)125-70(36-41-83(145)146)97(158)123-66(27-19-46-118-107(115)116)92(153)132-76(105(166)167)53-80(112)141/h10-15,21-24,29-32,55-58,63-77,85-87,137-138H,9,16-20,25-28,33-54,108-109H2,1-8H3,(H2,110,139)(H2,111,140)(H2,112,141)(H,119,150)(H,120,142)(H,121,157)(H,122,155)(H,123,158)(H,124,159)(H,125,151)(H,126,156)(H,127,160)(H,128,152)(H,129,154)(H,130,164)(H,131,163)(H,132,153)(H,133,149)(H,134,162)(H,135,161)(H,143,144)(H,145,146)(H,147,148)(H,166,167)(H4,113,114,117)(H4,115,116,118)/t57-,58+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,85-,86-,87-/m0/s1
InChI Key MGEPJYBDTTYXQQ-AKGJPERPSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
motilin1-19 (human)
Database Links Click here for help
GtoPdb PubChem SID 135652298
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