| Properties | Image |
|---|
| MNX_ID | MNXM1121554 |
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| reference | chebi:158942 |
| formula | C17H33N7O6 |
| global charge | 0 |
| mol weight | 431.494 |
| InChIKey | OGUPCHKBOKJFMA-SRVKXCTJSA-N |
| InChI | InChI=1S/C17H33N7O6/c18-8-2-1-5-12(16(29)30)24-15(28)11(6-7-13(25)26)23-14(27)10(19)4-3-9-22-17(20)21/h10-12H,1-9,18-19H2,(H,23,27)(H,24,28)(H,25,26)(H,29,30)(H4,20,21,22)/t10-,11-,12-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H33N7O6/c18-8-2-1-5-12(16(29)30)24-15(28)11(6-7-13(25)26)23-14(27)10(19)4-3-9-22-17(20)21/h10-12H,1-9,18-19H2,(H,23,27)(H,24,28)(H,25,26)(H,29,30)(H4,20,21,22)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][NH2:18])[CH2:5][C@@H:12]([C:16](=[O:29])[OH:30])[N:24]=[C:15]([C@H:11]([CH2:6][CH2:7][C:13](=[O:25])[OH:26])[N:23]=[C:14]([C@H:10]([CH2:4][CH2:3][CH2:9][NH:22][C:17](=[NH:20])[NH2:21])[NH2:19])[OH:27])[OH:28] |
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