| Properties | Image |
|---|
| MNX_ID | MNXM1180855 |
 |
| reference | envipathM:...ec53bc908332 |
| formula | C34H31N4O10 |
| global charge | -1 |
| mol weight | 655.64 |
| InChIKey | RNTORVQAOXMNSS-UHFFFAOYSA-M |
| InChI | InChI=1S/C34H32N4O10/c39-20-35-25-9-1-21(2-10-25)17-22-3-11-27(12-4-22)37-33(45)47-18-29(40)30(41)19-48-34(46)38-28-15-7-24(8-16-28)31(42)23-5-13-26(14-6-23)36-32(43)44/h1-16,29-31,36,40-42H,17-19H2,(H,37,45)(H,38,46)(H,43,44)/p-1 |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCC(O)C(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/C34H32N4O10/c39-20-35-25-9-1-21(2-10-25)17-22-3-11-27(12-4-22)37-33(45)47-18-29(40)30(41)19-48-34(46)38-28-15-7-24(8-16-28)31(42)23-5-13-26(14-6-23)36-32(43)44/h1-16,29-31,36,40-42H,17-19H2,(H,37,45)(H,38,46)(H,43,44)/t29?,30?,31? |
 |
| SMILES (mnx) | [CH:1]1=[CH:9][C:25]([N:35]=[C:20]=[O:39])=[CH:10][CH:2]=[C:21]1[CH2:17][C:22]1=[CH:4][CH:12]=[C:27]([NH:37][C:33](=[O:45])[O:47][CH2:18][CH:29]([CH:30]([CH2:19][O:48][C:34]([NH:38][C:28]2=[CH:16][CH:8]=[C:24]([CH:31]([C:23]3=[CH:6][CH:14]=[C:26]([NH:36][C:32](=[O:43])[OH:44])[CH:13]=[CH:5]3)[OH:42])[CH:7]=[CH:15]2)=[O:46])[OH:41])[OH:40])[CH:11]=[CH:3]1 |
|