| Properties | Image |
|---|
| MNX_ID | MNXM1179376 |
 |
| reference | envipathM:...44b9e6e18301 |
| formula | C32H32N3O10 |
| global charge | -1 |
| mol weight | 618.619 |
| InChIKey | XUBLIWYXRSXHMA-UHFFFAOYSA-M |
| InChI | InChI=1S/C32H33N3O10/c1-2-26(29(39)30(40)41)28(38)22-9-15-25(16-10-22)35-32(43)45-18-4-3-17-44-31(42)34-24-13-7-21(8-14-24)27(37)20-5-11-23(12-6-20)33-19-36/h5-16,26-28,37-38H,2-4,17-18H2,1H3,(H,34,42)(H,35,43)(H,40,41)/p-1 |
| SMILES | CCC(C(=O)C(=O)[O-])C(O)C1=CC=C(NC(=O)OCCCCOC(=O)NC2=CC=C(C(O)C3=CC=C(N=C=O)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H33N3O10/c1-2-26(29(39)30(40)41)28(38)22-9-15-25(16-10-22)35-32(43)45-18-4-3-17-44-31(42)34-24-13-7-21(8-14-24)27(37)20-5-11-23(12-6-20)33-19-36/h5-16,26-28,37-38H,2-4,17-18H2,1H3,(H,34,42)(H,35,43)(H,40,41)/t26?,27?,28? |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH:26]([CH:28]([C:22]1=[CH:10][CH:16]=[C:25]([NH:35][C:32](=[O:43])[O:45][CH2:18][CH2:4][CH2:3][CH2:17][O:44][C:31]([NH:34][C:24]2=[CH:14][CH:8]=[C:21]([CH:27]([C:20]3=[CH:6][CH:12]=[C:23]([N:33]=[C:19]=[O:36])[CH:11]=[CH:5]3)[OH:37])[CH:7]=[CH:13]2)=[O:42])[CH:15]=[CH:9]1)[OH:38])[C:29]([C:30]([OH:40])=[O:41])=[O:39] |
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