L-Tyrosyl-L-asparaginyl-L-asparaginyl-L-tryptophyl-L-prolyl-N⁵-(diaminomethylidene)-L-ornithine

chemical compound

Wikidata entity: Q82820907

C₃₉H₅₂N₁₂O₁₀ (P274)

Quantities

P2067mass848.3929358639999

P233 canonical SMILES String N=C(O)CC(N=C(O)C(N)Cc1ccc(O)cc1)C(O)=NC(CC(=N)O)C(O)=NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(O)=NC(CCCNC(=N)N)C(=O)O ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O ???
P279 subclass of ... Q66589878 (tryptamine alkaloid) tryptamine alkaloid
External Ids
P231CAS Registry Number848350-42-5
P8494DSSTOX compound identifierDTXCID70784704
P3117DSSTox substance IDDTXSID10833962
P234InChIInChI=1S/C39H52N12O10/c40-24(15-20-9-11-22(52)12-10-20)33(55)48-27(17-31(41)53)34(56)49-28(18-32(42)54)35(57)50-29(16-21-19-46-25-6-2-1-5-23(21)25)37(59)51-14-4-8-30(51)36(58)47-26(38(60)61)7-3-13-45-39(43)44/h1-2,5-6,9-12,19,24,26-30,46,52H,3-4,7-8,13-18,40H2,(H2,41,53)(H2,42,54)(H,47,58)(H,48,55)(H,49,56)(H,50,57)(H,60,61)(H4,43,44,45)/t24-,26-,27-,28-,29-,30-/m0/s1
P235InChIKeyVZAXNNBVEIWKJG-POPCVQDUSA-N
P662PubChem CID71414507
P11089UniChem compound ID66885401

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