For research use only. Not for therapeutic Use.
| Catalog Number | M020102 |
| CAS Number | 583037-91-6 |
| Synonyms | EC-17 |
| Molecular Formula | C42H36N10O10S |
| Purity | ≥95% |
| Storage | Store at -20°C |
| IUPAC Name | (2S)-5-amino-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]-[2-[(3/',6/'-dihydroxy-3-oxospiro[2-benzofuran-1,9/'-xanthene]-5-yl)carbamothioylamino]ethyl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C42H36N10O10S/c43-33(55)12-11-30(38(58)59)52(37(57)20-1-3-21(4-2-20)46-18-23-19-47-35-34(48-23)36(56)51-40(44)50-35)14-13-45-41(63)49-22-5-8-27-26(15-22)39(60)62-42(27)28-9-6-24(53)16-31(28)61-32-17-25(54)7-10-29(32)42/h1-10,15-17,19,30,46,53-54H,11-14,18H2,(H2,43,55)(H,58,59)(H2,45,49,63)(H3,44,47,50,51,56)/t30-/m0/s1 |
| InChIKey | ZMTAPBHUSYTHBY-PMERELPUSA-N |
| SMILES | C1=CC(=CC=C1C(=O)N(CCNC(=S)NC2=CC3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O)C(CCC(=O)N)C(=O)O)NCC7=CN=C8C(=N7)C(=O)N=C(N8)N |
