U89
N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-1-GLUTAMIC ACID
Find entries where: U89
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-1-GLUTAMIC ACID |
| Identifiers | (2S)-2-[[4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propyl-[2-[2-oxo-2-(4-phosphonooxybutylamino)ethyl]sulfanylethanoyl]amino]phenyl]carbonylamino]pentanedioic acid |
| Formula | C27 H38 N7 O12 P S |
| Molecular Weight | 715.669 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CCCC2=C(N=C(NC2=O)N)N)C(=O)CSCC(=O)NCCCCOP(=O)(O)O |
| InChI | InChI=1S/C27H38N7O12PS/c28-23-18(25(40)33-27(29)32-23)4-3-12-34(21(36)15-48-14-20(35)30-11-1-2-13-46-47(43,44)45)17-7-5-16(6-8-17)24(39)31-19(26(41)42)9-10-22(37)38/h5-8,19H,1-4,9-15H2,(H,30,35)(H,31,39)(H,37,38)(H,41,42)(H2,43,44,45)(H5,28,29,32,33,40)/t19-/m0/s1 |
| InChIKey | WIBNWPBCQGWSJV-IBGZPJMESA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 86 |
| Chiral Atom Count | 1 |
| Bond Count | 87 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 445810, 5289521, 135403834 |
