| PDB CCD ID: | MPN |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C10 H12 N5 O6 P S2 |
| InChI: | InChI=1S/C10H12N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1 |
| InChIKey: | KBZBGUMPKMXMLE-IFQPEPLCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NC1=NC(=O)C2=C(N[CH]3O[CH](CO[P](O)(O)=O)C(=S)C(=S)[CH]3N2)N1 | | OpenEye OEToolkits 1.7.6 | C([C@@H]1C(=S)C(=S)[C@H]2[C@@H](O1)NC3=C(N2)C(=O)N=C(N3)N)OP(=O)(O)O | | OpenEye OEToolkits 1.7.6 | C(C1C(=S)C(=S)C2C(O1)NC3=C(N2)C(=O)N=C(N3)N)OP(=O)(O)O | | ACDLabs 12.01 | OP(=O)(O)OCC1C(=S)C(C2C(O1)NC3=C(N2)C(=O)N=C(N3)N)=S | | CACTVS 3.385 | NC1=NC(=O)C2=C(N[C@@H]3O[C@H](CO[P](O)(O)=O)C(=S)C(=S)[C@@H]3N2)N1 |
|
| Name: | PHOSPHORIC ACID MONO-(2-AMINO-4-OXO-5,6-DITHIOXO-1,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER |
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