motilin-(1-12) (human)   Click here for help

GtoPdb Ligand ID: 1461

Synonyms: motilin1-12 (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 CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)CCC(=O)N)CC(C)C)CCC(=O)O)Cc1ccc(cc1)O)C(O)C)Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)C
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)O)[C@@H](C)O
InChI InChI=1S/C71H104N16O18/c1-8-40(6)58(85-66(100)53-22-16-32-87(53)69(103)57(39(4)5)84-60(94)46(72)34-42-17-11-9-12-18-42)67(101)83-52(35-43-19-13-10-14-20-43)65(99)86-59(41(7)88)68(102)82-51(36-44-23-25-45(89)26-24-44)61(95)77-37-55(91)78-47(28-30-56(92)93)62(96)81-50(33-38(2)3)64(98)79-48(27-29-54(73)90)63(97)80-49(70(104)105)21-15-31-76-71(74)75/h9-14,17-20,23-26,38-41,46-53,57-59,88-89H,8,15-16,21-22,27-37,72H2,1-7H3,(H2,73,90)(H,77,95)(H,78,91)(H,79,98)(H,80,97)(H,81,96)(H,82,102)(H,83,101)(H,84,94)(H,85,100)(H,86,99)(H,92,93)(H,104,105)(H4,74,75,76)/t40-,41+,46-,47-,48-,49-,50-,51-,52-,53-,57-,58-,59-/m0/s1
InChI Key RMFLNSINIQWBNF-YJSHLDSISA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
motilin1-12 (human)
Database Links Click here for help
GtoPdb PubChem SID 135652296
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