| Properties | Image |
|---|
| MNX_ID | MNXM43208 |
 |
| reference | keggD:D03042 |
| formula | C17H23N7O8 |
| global charge | 0 |
| mol weight | 453.412 |
| InChIKey | LJSDXBKWNPXKES-BNNCGTOFSA-N |
| InChI | InChI=1S/C17H23N7O8/c18-11(16(29)30)3-6-14(27)23-12(4-1-9(25)7-21-19)15(28)24-13(17(31)32)5-2-10(26)8-22-20/h7-8,11-13H,1-6,18H2,(H4-2,23,24,25,26,27,28,29,30,31,32)/b9-7-,10-8-/t11-,12-,13-/m0/s1 |
| SMILES | N#[N+]/C=C(\[O-])CC[C@H](NC(=O)[C@H](CC/C([O-])=C/[N+]#N)NC(=O)CC[C@H](N)C(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N7O8/c18-11(16(29)30)3-6-14(27)23-12(4-1-9(25)7-21-19)15(28)24-13(17(31)32)5-2-10(26)8-22-20/h7-8,11-13H,1-6,18H2,(H4-2,23,24,25,26,27,28,29,30,31,32)/b9-7-,10-8-/t11-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:4][C@@H:12]([C:15](=[N:24][C@@H:13]([CH2:5][CH2:2]/[C:10](=[CH:8]/[N+:22]#[N:20])[OH:26])[C:17](=[O:31])[O-:32])[OH:28])[N:23]=[C:14]([CH2:6][CH2:3][C@@H:11]([C:16](=[O:29])[O-:30])[NH2:18])[OH:27])/[C:9](=[CH:7]/[N+:21]#[N:19])[OH:25] |
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