| Properties | Image |
|---|
| MNX_ID | MNXM815143 |
 |
| reference | keggD:D11659 |
| formula | C26H24ClN2Na2O6P |
| global charge | 0 |
| mol weight | 572.893 |
| InChIKey | IHNKFKPPZJVMMZ-PPLJNSMQSA-L |
| InChI | InChI=1S/C26H26ClN2O6P.2Na/c1-16-6-3-4-7-20(16)25(30)28-19-10-11-21(17(2)14-19)26(31)29-13-5-8-24(35-36(32,33)34)22-15-18(27)9-12-23(22)29;;/h3-4,6-7,9-12,14-15,24H,5,8,13H2,1-2H3,(H,28,30)(H2,32,33,34);;/q;2*+1/p-2/t24-;;/m1../s1 |
| SMILES | CC1=C(C(=O)NC2=CC(C)=C(C(=O)N3CCC[C@@H](OP(=O)([O-])[O-])C4=C3C=CC(Cl)=C4)C=C2)C=CC=C1.[Na+].[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C26H26ClN2O6P.2Na/c1-16-6-3-4-7-20(16)25(30)28-19-10-11-21(17(2)14-19)26(31)29-13-5-8-24(35-36(32,33)34)22-15-18(27)9-12-23(22)29;;/h3-4,6-7,9-12,14-15,24H,5,8,13H2,1-2H3,(H,28,30)(H2,32,33,34);;/q;2*+1/t24-;;/m1../s1 |
 |
| SMILES (mnx) | [CH3:1][C:16]1=[CH:6][CH:3]=[CH:4][CH:7]=[C:20]1[C:25]([NH:28][C:19]1=[CH:14][C:17]([CH3:2])=[C:21]([C:26]([N:29]2[CH2:13][CH2:5][CH2:8][C@@H:24]([O:35][P:36]([OH:32])([OH:33])=[O:34])[C:22]3=[CH:15][C:18]([Cl:27])=[CH:9][CH:12]=[C:23]32)=[O:31])[CH:11]=[CH:10]1)=[O:30].[Na+:37].[Na+:38] |
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