| Properties | Image |
|---|
| MNX_ID | MNXM1183718 |
 |
| reference | envipathM:...0fb32b4373ad |
| formula | C31H32N3O8 |
| global charge | -1 |
| mol weight | 574.61 |
| InChIKey | SWOAHNPRFAATRR-UHFFFAOYSA-M |
| InChI | InChI=1S/C31H33N3O8/c1-2-31(40,28(36)37)20-24-9-15-27(16-10-24)34-30(39)42-18-4-3-17-41-29(38)33-26-13-7-23(8-14-26)19-22-5-11-25(12-6-22)32-21-35/h5-16,40H,2-4,17-20H2,1H3,(H,33,38)(H,34,39)(H,36,37)/p-1 |
| SMILES | CCC(O)(CC1=CC=C(NC(=O)OCCCCOC(=O)NC2=CC=C(CC3=CC=C(N=C=O)C=C3)C=C2)C=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C31H33N3O8/c1-2-31(40,28(36)37)20-24-9-15-27(16-10-24)34-30(39)42-18-4-3-17-41-29(38)33-26-13-7-23(8-14-26)19-22-5-11-25(12-6-22)32-21-35/h5-16,40H,2-4,17-20H2,1H3,(H,33,38)(H,34,39)(H,36,37)/t31? |
 |
| SMILES (mnx) | [CH3:1][CH2:2][C:31]([CH2:20][C:24]1=[CH:10][CH:16]=[C:27]([NH:34][C:30](=[O:39])[O:42][CH2:18][CH2:4][CH2:3][CH2:17][O:41][C:29]([NH:33][C:26]2=[CH:14][CH:8]=[C:23]([CH2:19][C:22]3=[CH:6][CH:12]=[C:25]([N:32]=[C:21]=[O:35])[CH:11]=[CH:5]3)[CH:7]=[CH:13]2)=[O:38])[CH:15]=[CH:9]1)([C:28](=[O:36])[OH:37])[OH:40] |
|