| Properties | Image |
| MNX_ID | MNXM1107700 |
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| reference | chebi:72612 |
| formula | C16H25N5O6 |
| global charge | 0 |
| mol weight | 383.405 |
| InChIKey | DRPMMLWYLAPTPK-CLORPHGJSA-N |
| InChI | InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16+/m1/s1 |
| SMILES | CC(CO)CCNC1=C2N=CN([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2=NC=N1 |
MNX internals
| InChI (mnx) | InChI=1/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH2:2][CH2:3][NH:17][C:14]1=[C:10]2[C:15](=[N:19][CH:6]=[N:18]1)[N:21]([C@@H:16]1[C@H:13]([OH:26])[C@@H:12]([OH:25])[C@H:11]([OH:24])[C@@H:9]([CH2:5][OH:23])[O:27]1)[CH:7]=[N:20]2)[CH2:4][OH:22] |
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