| Properties | Image |
|---|
| MNX_ID | MNXM1183283 |
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| reference | envipathM:...103bae2e868b |
| formula | C22H23ClN2O10 |
| global charge | 0 |
| mol weight | 510.883 |
| InChIKey | GOGOPFNONKHMRN-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H23ClN2O10/c1-20(33)11-7(23)4-8(26)14(27)9(11)15(28)12-18(31)22(35)6(5-21(12,20)34)13(25(2)3)16(29)10(17(22)30)19(24)32/h4,6,13,26-28,30,33-35H,5H2,1-3H3,(H2,24,32) |
| SMILES | CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C(O)=CC(Cl)=C4C(C)(O)C3(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C22H23ClN2O10/c1-20(33)11-7(23)4-8(26)14(27)9(11)15(28)12-18(31)22(35)6(5-21(12,20)34)13(25(2)3)16(29)10(17(22)30)19(24)32/h4,6,13,26-28,30,33-35H,5H2,1-3H3,(H2,24,32)/t6?,13?,20?,21?,22? |
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| SMILES (mnx) | [CH3:1][C:20]1([OH:33])[C:11]2=[C:9]([C:14]([OH:27])=[C:8]([OH:26])[CH:4]=[C:7]2[Cl:23])[C:15]([OH:28])=[C:12]2[C:18](=[O:31])[C:22]3([OH:35])[CH:6]([CH2:5][C:21]21[OH:34])[CH:13]([N:25]([CH3:2])[CH3:3])[C:16](=[O:29])[C:10]([C:19](=[NH:24])[OH:32])=[C:17]3[OH:30] |
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