[Orn5]URP   

GtoPdb Ligand ID: 9438

2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES NCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CS)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(N)C)CS)Cc1ccccc1
Isomeric SMILES NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CS)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CS)Cc1ccccc1
InChI InChI=1S/C48H64N10O10S2/c1-26(2)40(48(67)68)58-47(66)39(25-70)57-44(63)36(21-29-15-17-31(59)18-16-29)53-42(61)34(14-9-19-49)52-45(64)37(22-30-23-51-33-13-8-7-12-32(30)33)55-43(62)35(20-28-10-5-4-6-11-28)54-46(65)38(24-69)56-41(60)27(3)50/h4-8,10-13,15-18,23,26-27,34-40,51,59,69-70H,9,14,19-22,24-25,49-50H2,1-3H3,(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,60)(H,57,63)(H,58,66)(H,67,68)/t27-,34-,35-,36-,37-,38-,39-,40-/m0/s1
InChI Key AJUZRHILBXDUEG-LSKWFVNGSA-N
Classification
Compound class Peptide or derivative
Database Links
GtoPdb PubChem SID 329968378
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Search UniChem for chemicals with the same backbone AJUZRHILBXDUEG