| Properties | Image |
|---|
| MNX_ID | MNXM1195568 |
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| reference | envipathM:...45bcea04e72b |
| formula | C29H30N3O8 |
| global charge | -1 |
| mol weight | 548.572 |
| InChIKey | HMYVDJRVKXEFHW-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H31N3O8/c30-22-8-1-20(2-9-22)17-21-5-12-24(13-6-21)31-28(37)39-16-15-25(33)18-40-29(38)32-23-10-3-19(4-11-23)7-14-26(34)27(35)36/h1-6,8-13,25,33H,7,14-18,30H2,(H,31,37)(H,32,38)(H,35,36)/p-1 |
| SMILES | NC1=CC=C(CC2=CC=C(NC(=O)OCCC(O)COC(=O)NC3=CC=C(CCC(=O)C(=O)[O-])C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H31N3O8/c30-22-8-1-20(2-9-22)17-21-5-12-24(13-6-21)31-28(37)39-16-15-25(33)18-40-29(38)32-23-10-3-19(4-11-23)7-14-26(34)27(35)36/h1-6,8-13,25,33H,7,14-18,30H2,(H,31,37)(H,32,38)(H,35,36)/t25? |
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| SMILES (mnx) | [CH:1]1=[CH:8][C:22]([NH2:30])=[CH:9][CH:2]=[C:20]1[CH2:17][C:21]1=[CH:6][CH:13]=[C:24]([NH:31][C:28](=[O:37])[O:39][CH2:16][CH2:15][CH:25]([CH2:18][O:40][C:29]([NH:32][C:23]2=[CH:11][CH:4]=[C:19]([CH2:7][CH2:14][C:26]([C:27]([OH:35])=[O:36])=[O:34])[CH:3]=[CH:10]2)=[O:38])[OH:33])[CH:12]=[CH:5]1 |
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