| Properties | Image |
|---|
| MNX_ID | MNXM119861 |
 |
| reference | chebi:72703 |
| formula | C28H47N7O9 |
| global charge | 0 |
| mol weight | 625.724 |
| InChIKey | PZEJVHJJSBKTSS-ITJSPEIASA-N |
| InChI | InChI=1S/C28H47N7O9/c1-9-16(4)22(25(40)34-21(15(2)3)26(41)43-8)35-24(39)18(12-13-20(29)37)32-23(38)19(11-10-17(36)14-31-30)33-27(42)44-28(5,6)7/h14-16,18-19,21-22H,9-13H2,1-8H3,(H2,29,37)(H,32,38)(H,33,42)(H,34,40)(H,35,39)/t16-,18-,19-,21-,22-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H47N7O9/c1-9-16(4)22(25(40)34-21(15(2)3)26(41)43-8)35-24(39)18(12-13-20(29)37)32-23(38)19(11-10-17(36)14-31-30)33-27(42)44-28(5,6)7/h14-16,18-19,21-22H,9-13H2,1-8H3,(H2,29,37)(H,32,38)(H,33,42)(H,34,40)(H,35,39)/t16-,18-,19-,21-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:9][C@H:16]([CH3:4])[C@@H:22]([C:25](=[N:34][C@@H:21]([CH:15]([CH3:2])[CH3:3])[C:26](=[O:41])[O:43][CH3:8])[OH:40])[N:35]=[C:24]([C@H:18]([CH2:12][CH2:13][C:20](=[NH:29])[OH:37])[N:32]=[C:23]([C@H:19]([CH2:11][CH2:10][C:17]([CH:14]=[N+:31]=[N-:30])=[O:36])[N:33]=[C:27]([OH:42])[O:44][C:28]([CH3:5])([CH3:6])[CH3:7])[OH:38])[OH:39] |
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