| Properties | Image |
|---|
| MNX_ID | MNXM105198 |
 |
| reference | chebi:65906 |
| formula | C38H57N5O10 |
| global charge | 0 |
| mol weight | 743.899 |
| InChIKey | ZZBSPTCNZDTZBR-QGXZNONUSA-N |
| InChI | InChI=1S/C38H57N5O10/c1-5-6-7-8-9-10-11-22-31(38(3,4)37(49)40-28-19-15-17-24-43(51)35(28)47)53-36(48)29(20-14-16-23-42(50)25-44)39-33(46)32-26(2)52-34(41-32)27-18-12-13-21-30(27)45/h12-13,18,21,25,28-29,31,45,50-51H,5-11,14-17,19-20,22-24H2,1-4H3,(H,39,46)(H,40,49)/t28?,29-,31?/m0/s1 |
| SMILES | CCCCCCCCCC(OC(=O)[C@H](CCCCN(O)C=O)NC(=O)C1=C(C)OC(C2=C(O)C=CC=C2)=N1)C(C)(C)C(=O)NC1CCCCN(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C38H57N5O10/c1-5-6-7-8-9-10-11-22-31(38(3,4)37(49)40-28-19-15-17-24-43(51)35(28)47)53-36(48)29(20-14-16-23-42(50)25-44)39-33(46)32-26(2)52-34(41-32)27-18-12-13-21-30(27)45/h12-13,18,21,25,28-29,31,45,50-51H,5-11,14-17,19-20,22-24H2,1-4H3,(H,39,46)(H,40,49)/t28?,29-,31?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:22][CH:31]([C:38]([CH3:3])([CH3:4])[C:37](=[N:40][CH:28]1[CH2:19][CH2:15][CH2:17][CH2:24][N:43]([OH:51])[C:35]1=[O:47])[OH:49])[O:53][C:36]([C@H:29]([CH2:20][CH2:14][CH2:16][CH2:23][N:42]([CH:25]=[O:44])[OH:50])[N:39]=[C:33]([C:32]1=[C:26]([CH3:2])[O:52][C:34]([C:27]2=[CH:18][CH:12]=[CH:13][CH:21]=[C:30]2[OH:45])=[N:41]1)[OH:46])=[O:48] |
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