| Properties | Image |
|---|
| MNX_ID | MNXM42573 |
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| reference | chebi:144397 |
| formula | C36H63N12O6 |
| global charge | 1 |
| mol weight | 759.978 |
| InChIKey | PASGEHUZOLMKLZ-UHFFFAOYSA-O |
| InChI | InChI=1S/C36H62N12O6/c1-48(2,20-10-18-43-34(53)26(38)12-9-17-45-36(40)41)19-7-4-11-25(37)33(52)42-15-5-3-6-16-44-35(54)28(22-30(39)50)47-31(51)21-24-23-46-27-13-8-14-29(49)32(24)27/h8,13-14,23,25-26,28,46H,3-7,9-12,15-22,37-38H2,1-2H3,(H10-,39,40,41,42,43,44,45,47,49,50,51,52,53,54)/p+1 |
| SMILES | C[N+](C)(CCCCC(N)C(=O)NCCCCCNC(=O)C(CC(N)=O)NC(=O)CC1=CNC2=CC=CC(O)=C12)CCCNC(=O)C(N)CCCNC(=N)N |
MNX internals
| InChI (mnx) | InChI=1/C36H62N12O6/c1-48(2,20-10-18-43-34(53)26(38)12-9-17-45-36(40)41)19-7-4-11-25(37)33(52)42-15-5-3-6-16-44-35(54)28(22-30(39)50)47-31(51)21-24-23-46-27-13-8-14-29(49)32(24)27/h8,13-14,23,25-26,28,46H,3-7,9-12,15-22,37-38H2,1-2H3,(H10-,39,40,41,42,43,44,45,47,49,50,51,52,53,54)/t25?,26?,28? |
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| SMILES (mnx) | [CH3:1][N+:48]([CH3:2])([CH2:19][CH2:7][CH2:4][CH2:11][CH:25]([C:33](=[N:42][CH2:15][CH2:5][CH2:3][CH2:6][CH2:16][N:44]=[C:35]([CH:28]([CH2:22][C:30](=[NH:39])[OH:50])[N:47]=[C:31]([CH2:21][C:24]1=[CH:23][NH:46][C:27]2=[C:32]1[C:29]([OH:49])=[CH:14][CH:8]=[CH:13]2)[OH:51])[O-:54])[OH:52])[NH2:37])[CH2:20][CH2:10][CH2:18][N:43]=[C:34]([CH:26]([CH2:12][CH2:9][CH2:17][NH:45][C:36](=[NH:40])[NH2:41])[NH2:38])[OH:53] |
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