Rhodei-litorin   Click here for help

GtoPdb Ligand ID: 6165

Synonyms: rohdeilitorin
Comment: Compound isolated from Phyllomedusa rohdei (a Brazilian leaf frog) [1].
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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(Cc1nc[nH]c1)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCC(=O)N)N)CC(C)C)C)Cc1ccccc1
Isomeric SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)O
InChI InChI=1S/C51H71N13O12S/c1-27(2)19-37(61-45(69)34(52)15-16-41(53)66)47(71)63-39(21-31-23-55-35-14-10-9-13-33(31)35)46(70)58-28(3)44(68)64-43(29(4)65)50(74)56-25-42(67)59-40(22-32-24-54-26-57-32)49(73)62-38(20-30-11-7-6-8-12-30)48(72)60-36(51(75)76)17-18-77-5/h6-14,23-24,26-29,34,36-40,43,55,65H,15-22,25,52H2,1-5H3,(H2,53,66)(H,54,57)(H,56,74)(H,58,70)(H,59,67)(H,60,72)(H,61,69)(H,62,73)(H,63,71)(H,64,68)(H,75,76)/t28-,29+,34-,36-,37-,38-,39-,40-,43-/m0/s1
InChI Key SVUYIHOQEOWECO-SRURJFDISA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
rohdeilitorin
Database Links Click here for help
CAS Registry No. 96563-00-7 (source: SciFinder)
GtoPdb PubChem SID 178102786
PubChem CID 57340152
Search Google for chemical match using the InChIKey SVUYIHOQEOWECO-SRURJFDISA-N
Search Google for chemicals with the same backbone SVUYIHOQEOWECO
Search UniChem for chemical match using the InChIKey SVUYIHOQEOWECO-SRURJFDISA-N
Search UniChem for chemicals with the same backbone SVUYIHOQEOWECO
UniProtKB P08946