| Properties | Image |
|---|
| MNX_ID | MNXM1364731 |
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| reference | envipathM:...44444a37e602 |
| formula | C32H41N3O9 |
| global charge | -2 |
| mol weight | 611.692 |
| InChIKey | JMBVPNVKEGUHRB-UHFFFAOYSA-L |
| InChI | InChI=1S/C32H43N3O9/c1-19(17-20(2)27(44-7)18-24-11-9-8-10-12-24)13-15-26(36)21(3)29(38)34-25(32(42)43)14-16-28(37)35(6)23(5)30(39)33-22(4)31(40)41/h8-13,15,17,20-22,25,27H,5,14,16,18H2,1-4,6-7H3,(H,33,39)(H,34,38)(H,40,41)(H,42,43)/p-2 |
| SMILES | C=C(C(=O)NC(C)C(=O)[O-])N(C)C(=O)CCC(NC(=O)C(C)C(=O)C=CC(C)=CC(C)C(Cc1ccccc1)OC)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C32H43N3O9/c1-19(17-20(2)27(44-7)18-24-11-9-8-10-12-24)13-15-26(36)21(3)29(38)34-25(32(42)43)14-16-28(37)35(6)23(5)30(39)33-22(4)31(40)41/h8-13,15,17,20-22,25,27H,5,14,16,18H2,1-4,6-7H3,(H,33,39)(H,34,38)(H,40,41)(H,42,43)/b15-13?,19-17?/t20?,21?,22?,25?,27? |
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| SMILES (mnx) | [CH3:1][C:2](=[CH:3][CH:4]([CH3:5])[CH:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH2:14][CH3:15])[CH:16]=[CH:17][C:18](=[CH2:19])[CH:20]([CH3:21])[C:22](=[CH2:23])[CH2:24][CH:25]([CH2:26][CH2:27][C:28](=[CH2:29])[CH:30]([CH3:31])[C:32](=[NH:33])[N:34](=[NH:35])[O:36][O:37]([OH:38])[O:39](=[O:40])[OH:41])[O:42](=[O:43])[OH:44] |
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