L-366,682   

GtoPdb Ligand ID: 2243

Synonyms: cyclo(Pro-Trp-Ile-Pip-Pip-His) | L 366682
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES C=CC(C(C(=O)N1CCCCC1(C=O)C(=O)N1CCCCC1)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)N)C
Isomeric SMILES C=C[C@@H]([C@@H](C(=O)N1CCCC[C@]1(C=O)C(=O)N1CCCCC1)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1cnc[nH]1)N)C
InChI InChI=1S/C40H53N9O6/c1-3-26(2)34(38(54)49-19-10-7-15-40(49,24-50)39(55)47-16-8-4-9-17-47)46-35(51)32(20-27-22-43-31-13-6-5-12-29(27)31)45-36(52)33-14-11-18-48(33)37(53)30(41)21-28-23-42-25-44-28/h3,5-6,12-13,22-26,30,32-34,43H,1,4,7-11,14-21,41H2,2H3,(H,42,44)(H,45,52)(H,46,51)/t26-,30+,32+,33-,34-,40-/m0/s1
InChI Key QHUGACUEEILSLD-NNWJBWDNSA-N
Classification
Compound class Peptide or derivative
IUPAC Name
(2S)-1-[(2R)-2-amino-3-(3H-imidazol-4-yl)propanoyl]-N-[(2R)-1-[[(2S,3S)-1-[(2S)-2-formyl-2-(piperidine-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxopent-4-en-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Synonyms
cyclo(Pro-Trp-Ile-Pip-Pip-His) | L 366682
Database Links
CAS Registry No. 127819-96-9
GtoPdb PubChem SID 135652252
PubChem CID 196819
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