| Properties | Image |
|---|
| MNX_ID | MNXM1363648 |
 |
| reference | biggM:CE2916 |
| formula | C35H51N6O10 |
| global charge | -1 |
| mol weight | 715.825 |
| InChIKey | OFSHRWCWYJBWJP-CMAHKSKVSA-M |
| InChI | InChI=1S/C35H52N6O10/c1-5-20(4)29(35(50)51)39-31(46)26-9-7-17-41(26)34(49)24(14-15-27(43)44)37-32(47)28(19(2)3)38-30(45)25-8-6-16-40(25)33(48)23(36)18-21-10-12-22(42)13-11-21/h10-13,19-20,23-26,28-29,42H,5-9,14-18,36H2,1-4H3,(H,37,47)(H,38,45)(H,39,46)(H,43,44)(H,50,51)/p-1/t20-,23+,24+,25+,26+,28-,29-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]([NH+]=C([O-])[C@H]1CCCN1C(=O)[C@@H](CCC(=O)[O-])[NH+]=C([O-])[C@@H]([NH+]=C([O-])[C@H]1CCCN1C(=O)[C@H]([NH3+])CC1=CC=C(O)C=C1)C(C)C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C35H52N6O10/c1-5-20(4)29(35(50)51)39-31(46)26-9-7-17-41(26)34(49)24(14-15-27(43)44)37-32(47)28(19(2)3)38-30(45)25-8-6-16-40(25)33(48)23(36)18-21-10-12-22(42)13-11-21/h10-13,19-20,23-26,28-29,42H,5-9,14-18,36H2,1-4H3,(H,37,47)(H,38,45)(H,39,46)(H,43,44)(H,50,51)/t20-,23+,24+,25+,26+,28-,29-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:20]([CH3:4])[C@@H:29]([C:35](=[O:50])[OH:51])[N:39]=[C:31]([C@H:26]1[CH2:9][CH2:7][CH2:17][N:41]1[C:34]([C@@H:24]([CH2:14][CH2:15][C:27](=[O:43])[OH:44])[N:37]=[C:32]([C@H:28]([CH:19]([CH3:2])[CH3:3])[N:38]=[C:30]([C@H:25]1[CH2:8][CH2:6][CH2:16][N:40]1[C:33]([C@@H:23]([CH2:18][C:21]1=[CH:11][CH:13]=[C:22]([OH:42])[CH:12]=[CH:10]1)[NH2:36])=[O:48])[OH:45])[OH:47])=[O:49])[OH:46] |
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