| Properties | Image |
|---|
| MNX_ID | MNXM1176859 |
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| reference | envipathM:...c4ddfc507b7b |
| formula | C33H32N4O9 |
| global charge | 0 |
| mol weight | 628.638 |
| InChIKey | RUILXKQTULHIRS-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H32N4O9/c34-28-17-29(40)27(30(41)31(28)42)16-22-5-11-24(12-6-22)36-32(43)45-14-13-26(39)18-46-33(44)37-25-9-3-21(4-10-25)15-20-1-7-23(8-2-20)35-19-38/h1-12,17,26,39-42H,13-16,18,34H2,(H,36,43)(H,37,44) |
| SMILES | NC1=C(O)C(O)=C(CC2=CC=C(NC(=O)OCCC(O)COC(=O)NC3=CC=C(CC4=CC=C(N=C=O)C=C4)C=C3)C=C2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H32N4O9/c34-28-17-29(40)27(30(41)31(28)42)16-22-5-11-24(12-6-22)36-32(43)45-14-13-26(39)18-46-33(44)37-25-9-3-21(4-10-25)15-20-1-7-23(8-2-20)35-19-38/h1-12,17,26,39-42H,13-16,18,34H2,(H,36,43)(H,37,44)/t26? |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:23]([N:35]=[C:19]=[O:38])=[CH:8][CH:2]=[C:20]1[CH2:15][C:21]1=[CH:4][CH:10]=[C:25]([NH:37][C:33](=[O:44])[O:46][CH2:18][CH:26]([CH2:13][CH2:14][O:45][C:32]([NH:36][C:24]2=[CH:12][CH:6]=[C:22]([CH2:16][C:27]3=[C:29]([OH:40])[CH:17]=[C:28]([NH2:34])[C:31]([OH:42])=[C:30]3[OH:41])[CH:5]=[CH:11]2)=[O:43])[OH:39])[CH:9]=[CH:3]1 |
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