1DMe   Click here for help

GtoPdb Ligand ID: 1477

Synonyms: [D-Tyr1,(NMe)Phe3]neuropeptide FF | [D.Tyr1,(N.Me)Phe3]NPFF
Comment: Synthetic analogue of neuropeptide FF
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CC(CC(N(C(=O)C(Cc1ccc(cc1)O)N)C)C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)CCC(=O)N)Cc1ccccc1)C
Isomeric SMILES CC(C[C@H](N(C(=O)[C@H](Cc1ccc(cc1)O)N)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)CCC(=O)N)Cc1ccccc1)C
InChI InChI=1S/C55H78N14O11/c1-32(2)28-44(68(3)53(79)37(56)29-35-18-20-36(70)21-19-35)52(78)67-42(31-34-14-8-5-9-15-34)50(76)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)49(75)63-38(16-10-26-62-55(60)61)48(74)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,75)(H,64,77)(H,65,76)(H,66,74)(H,67,78)(H4,60,61,62)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
InChI Key UQGBICZACVFETI-YTAGXALCSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
Synonyms Click here for help
[D-Tyr1,(NMe)Phe3]neuropeptide FF | [D.Tyr1,(N.Me)Phe3]NPFF
Database Links Click here for help
GtoPdb PubChem SID 135651955
PubChem CID 132709
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