| Properties | Image |
|---|
| MNX_ID | MNXM1122003 |
 |
| reference | chebi:159392 |
| formula | C26H33N7O5 |
| global charge | 0 |
| mol weight | 523.594 |
| InChIKey | VJIQPOJMISSUPO-BVSLBCMMSA-N |
| InChI | InChI=1S/C26H33N7O5/c27-19(5-3-11-30-26(28)29)23(35)32-21(13-16-14-31-20-6-2-1-4-18(16)20)24(36)33-22(25(37)38)12-15-7-9-17(34)10-8-15/h1-2,4,6-10,14,19,21-22,31,34H,3,5,11-13,27H2,(H,32,35)(H,33,36)(H,37,38)(H4,28,29,30)/t19-,21-,22-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H33N7O5/c27-19(5-3-11-30-26(28)29)23(35)32-21(13-16-14-31-20-6-2-1-4-18(16)20)24(36)33-22(25(37)38)12-15-7-9-17(34)10-8-15/h1-2,4,6-10,14,19,21-22,31,34H,3,5,11-13,27H2,(H,32,35)(H,33,36)(H,37,38)(H4,28,29,30)/t19-,21-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:20]2[C:18](=[CH:4]1)[C:16]([CH2:13][C@@H:21]([C:24](=[N:33][C@@H:22]([CH2:12][C:15]1=[CH:8][CH:10]=[C:17]([OH:34])[CH:9]=[CH:7]1)[C:25](=[O:37])[OH:38])[OH:36])[N:32]=[C:23]([C@H:19]([CH2:5][CH2:3][CH2:11][NH:30][C:26](=[NH:28])[NH2:29])[NH2:27])[OH:35])=[CH:14][NH:31]2 |
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