motilin-(1-13) (human)   Click here for help

GtoPdb Ligand ID: 1462

Synonyms: motilin1-13 (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 CSCCC(C(=O)O)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
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)O)[C@@H](C)O
InChI InChI=1S/C76H113N17O19S/c1-9-43(6)62(91-71(107)57-23-17-34-93(57)74(110)61(42(4)5)90-64(100)49(77)37-45-18-12-10-13-19-45)72(108)89-56(38-46-20-14-11-15-21-46)70(106)92-63(44(7)94)73(109)88-55(39-47-24-26-48(95)27-25-47)65(101)82-40-59(97)83-51(29-31-60(98)99)67(103)87-54(36-41(2)3)69(105)85-52(28-30-58(78)96)68(104)84-50(22-16-33-81-76(79)80)66(102)86-53(75(111)112)32-35-113-8/h10-15,18-21,24-27,41-44,49-57,61-63,94-95H,9,16-17,22-23,28-40,77H2,1-8H3,(H2,78,96)(H,82,101)(H,83,97)(H,84,104)(H,85,105)(H,86,102)(H,87,103)(H,88,109)(H,89,108)(H,90,100)(H,91,107)(H,92,106)(H,98,99)(H,111,112)(H4,79,80,81)/t43-,44+,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1
InChI Key BYENHSKWDFWKRW-JAFQCPPXSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
motilin1-13 (human)
Database Links Click here for help
GtoPdb PubChem SID 135652297
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Search UniChem for chemical match using the InChIKey BYENHSKWDFWKRW-JAFQCPPXSA-N
Search UniChem for chemicals with the same backbone BYENHSKWDFWKRW