Wikidata entity: Q83034344
C₅₂H₆₇N₇O₁₀ (P274)
Quantities
| P2067 | mass | 949.4949413439999 |
| P233 | canonical SMILES | String | CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(C)=O)C1c2ccccc2CCc2ccccc21)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(C)CC | ??? |
| P31 | instance of | ... | Q113145171 (type of chemical entity) | type of chemical entity |
| P2017 | isomeric SMILES | String | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C3C4=CC=CC=C4CCC5=CC=CC=C35)NC(=O)C | ??? |
| P279 | subclass of | ... | Q66589878 (tryptamine alkaloid) | tryptamine alkaloid |
| P231 | CAS Registry Number | 153049-49-1 |
| P8494 | DSSTOX compound identifier | DTXCID1087699 |
| P3117 | DSSTox substance ID | DTXSID40165208 |
| P234 | InChI | InChI=1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46+/m0/s1 |
| P235 | InChIKey | HRAQSWKGRRUBDJ-OMUAVVNCSA-N |
| P662 | PubChem CID | 123959 |
| P2877 | SureChEMBL ID | 15562909 |
| P2877 | SureChEMBL ID | 29392946 |
| P11089 | UniChem compound ID | 180397 |
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