| Properties | Image |
|---|
| MNX_ID | MNXM1191014 |
 |
| reference | envipathM:...f143d15d183a |
| formula | C33H31N4O8 |
| global charge | -1 |
| mol weight | 611.631 |
| InChIKey | OXAWFADDQWQCSU-UHFFFAOYSA-M |
| InChI | InChI=1S/C33H32N4O8/c34-25-9-1-21(2-10-25)19-22-3-11-27(12-4-22)36-32(42)44-18-17-29(38)20-45-33(43)37-28-15-7-24(8-16-28)30(39)23-5-13-26(14-6-23)35-31(40)41/h1-16,30,35,39H,17-20,34H2,(H,36,42)(H,37,43)(H,40,41)/p-1 |
| SMILES | NC1=CC=C(CC2=CC=C(NC(=O)OCCC(=O)COC(=O)NC3=CC=C(C(O)C4=CC=C(NC(=O)[O-])C=C4)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H32N4O8/c34-25-9-1-21(2-10-25)19-22-3-11-27(12-4-22)36-32(42)44-18-17-29(38)20-45-33(43)37-28-15-7-24(8-16-28)30(39)23-5-13-26(14-6-23)35-31(40)41/h1-16,30,35,39H,17-20,34H2,(H,36,42)(H,37,43)(H,40,41)/t30? |
 |
| SMILES (mnx) | [CH:1]1=[CH:9][C:25]([NH2:34])=[CH:10][CH:2]=[C:21]1[CH2:19][C:22]1=[CH:4][CH:12]=[C:27]([NH:36][C:32](=[O:42])[O:44][CH2:18][CH2:17][C:29]([CH2:20][O:45][C:33]([NH:37][C:28]2=[CH:16][CH:8]=[C:24]([CH:30]([C:23]3=[CH:6][CH:14]=[C:26]([NH:35][C:31](=[O:40])[OH:41])[CH:13]=[CH:5]3)[OH:39])[CH:7]=[CH:15]2)=[O:43])=[O:38])[CH:11]=[CH:3]1 |
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