| Properties | Image |
|---|
| MNX_ID | MNXM1194239 |
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| reference | envipathM:...7775cb4c691b |
| formula | C33H32N4O8 |
| global charge | 0 |
| mol weight | 612.639 |
| InChIKey | MMDVQOOKQUEAFU-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H32N4O8/c34-25-9-3-21(4-10-25)17-22-7-13-27(14-8-22)36-32(42)44-15-1-2-16-45-33(43)37-29-28(39)19-24(30(40)31(29)41)18-23-5-11-26(12-6-23)35-20-38/h3-14,19,39-41H,1-2,15-18,34H2,(H,36,42)(H,37,43) |
| SMILES | NC1=CC=C(CC2=CC=C(NC(=O)OCCCCOC(=O)NC3=C(O)C(O)=C(CC4=CC=C(N=C=O)C=C4)C=C3O)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H32N4O8/c34-25-9-3-21(4-10-25)17-22-7-13-27(14-8-22)36-32(42)44-15-1-2-16-45-33(43)37-29-28(39)19-24(30(40)31(29)41)18-23-5-11-26(12-6-23)35-20-38/h3-14,19,39-41H,1-2,15-18,34H2,(H,36,42)(H,37,43) |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:16][O:45][C:33](=[N:37][C:29]1=[C:28]([OH:39])[CH:19]=[C:24]([CH2:18][C:23]2=[CH:6][CH:12]=[C:26]([N:35]=[C:20]=[O:38])[CH:11]=[CH:5]2)[C:30]([OH:40])=[C:31]1[OH:41])[OH:43])[CH2:15][O:44][C:32]([NH:36][C:27]1=[CH:14][CH:8]=[C:22]([CH2:17][C:21]2=[CH:4][CH:10]=[C:25]([NH2:34])[CH:9]=[CH:3]2)[CH:7]=[CH:13]1)=[O:42] |
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