| Properties | Image |
|---|
| MNX_ID | MNXM1191463 |
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| reference | envipathM:...ef632ffb425d |
| formula | C20H24ClN2O8 |
| global charge | -1 |
| mol weight | 455.871 |
| InChIKey | NIJYDRGHUYZSHW-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H25ClN2O8/c1-12-9-14(21)10-13(11-25)15(12)16(18(26)27)17(31-19(28)30-8-7-24)20(22)3-5-23(29-2)6-4-20/h9-11,24H,3-8,22H2,1-2H3,(H,26,27)/p-1 |
| SMILES | CON1CCC(N)(C(OC(=O)OCCO)=C(C(=O)[O-])C2=C(C)C=C(Cl)C=C2C=O)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C20H25ClN2O8/c1-12-9-14(21)10-13(11-25)15(12)16(18(26)27)17(31-19(28)30-8-7-24)20(22)3-5-23(29-2)6-4-20/h9-11,24H,3-8,22H2,1-2H3,(H,26,27)/b17-16? |
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| SMILES (mnx) | [CH3:1][C:12]1=[CH:9][C:14]([Cl:21])=[CH:10][C:13]([CH:11]=[O:25])=[C:15]1[C:16](=[C:17]([C:20]1([NH2:22])[CH2:3][CH2:5][N:23]([O:29][CH3:2])[CH2:6][CH2:4]1)[O:31][C:19](=[O:28])[O:30][CH2:8][CH2:7][OH:24])[C:18](=[O:26])[OH:27] |
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