| Properties | Image |
|---|
| MNX_ID | MNXM1121361 |
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| reference | chebi:158749 |
| formula | C17H33N9O4 |
| global charge | 0 |
| mol weight | 427.51 |
| InChIKey | OVVUNXXROOFSIM-SDDRHHMPSA-N |
| InChI | InChI=1S/C17H33N9O4/c18-10(4-1-7-23-16(19)20)13(27)25-11(5-2-8-24-17(21)22)14(28)26-9-3-6-12(26)15(29)30/h10-12H,1-9,18H2,(H,25,27)(H,29,30)(H4,19,20,23)(H4,21,22,24)/t10-,11-,12+/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H33N9O4/c18-10(4-1-7-23-16(19)20)13(27)25-11(5-2-8-24-17(21)22)14(28)26-9-3-6-12(26)15(29)30/h10-12H,1-9,18H2,(H,25,27)(H,29,30)(H4,19,20,23)(H4,21,22,24)/t10-,11-,12+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:4][C@@H:10]([C:13](=[N:25][C@@H:11]([CH2:5][CH2:2][CH2:8][NH:24][C:17](=[NH:21])[NH2:22])[C:14]([N:26]1[CH2:9][CH2:3][CH2:6][C@@H:12]1[C:15](=[O:29])[OH:30])=[O:28])[OH:27])[NH2:18])[CH2:7][NH:23][C:16](=[NH:19])[NH2:20] |
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