| Properties | Image |
|---|
| MNX_ID | MNXM1177037 |
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| reference | envipathM:...cb62cb32abf5 |
| formula | C33H32N4O9 |
| global charge | 0 |
| mol weight | 628.638 |
| InChIKey | TWPVWVVXQPMNAO-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H32N4O9/c34-24-7-1-22(2-8-24)16-23-17-28(40)29(31(42)30(23)41)37-33(44)46-18-27(39)13-14-45-32(43)36-26-11-5-21(6-12-26)15-20-3-9-25(10-4-20)35-19-38/h1-12,17,27,39-42H,13-16,18,34H2,(H,36,43)(H,37,44) |
| SMILES | NC1=CC=C(CC2=C(O)C(O)=C(NC(=O)OCC(O)CCOC(=O)NC3=CC=C(CC4=CC=C(N=C=O)C=C4)C=C3)C(O)=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H32N4O9/c34-24-7-1-22(2-8-24)16-23-17-28(40)29(31(42)30(23)41)37-33(44)46-18-27(39)13-14-45-32(43)36-26-11-5-21(6-12-26)15-20-3-9-25(10-4-20)35-19-38/h1-12,17,27,39-42H,13-16,18,34H2,(H,36,43)(H,37,44)/t27? |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:24]([NH2:34])=[CH:8][CH:2]=[C:22]1[CH2:16][C:23]1=[CH:17][C:28]([OH:40])=[C:29]([N:37]=[C:33]([OH:44])[O:46][CH2:18][CH:27]([CH2:13][CH2:14][O:45][C:32]([NH:36][C:26]2=[CH:12][CH:6]=[C:21]([CH2:15][C:20]3=[CH:4][CH:10]=[C:25]([N:35]=[C:19]=[O:38])[CH:9]=[CH:3]3)[CH:5]=[CH:11]2)=[O:43])[OH:39])[C:31]([OH:42])=[C:30]1[OH:41] |
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