| Properties | Image |
| MNX_ID | MNXM1121315 |
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| reference | chebi:158703 |
| formula | C15H31N7O4 |
| global charge | 0 |
| mol weight | 373.458 |
| InChIKey | VBFJESQBIWCWRL-DCAQKATOSA-N |
| InChI | InChI=1S/C15H31N7O4/c1-9(12(23)22-11(14(25)26)6-2-3-7-16)21-13(24)10(17)5-4-8-20-15(18)19/h9-11H,2-8,16-17H2,1H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)/t9-,10-,11-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H31N7O4/c1-9(12(23)22-11(14(25)26)6-2-3-7-16)21-13(24)10(17)5-4-8-20-15(18)19/h9-11H,2-8,16-17H2,1H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:9]([C:12](=[N:22][C@@H:11]([CH2:6][CH2:2][CH2:3][CH2:7][NH2:16])[C:14](=[O:25])[OH:26])[OH:23])[N:21]=[C:13]([C@H:10]([CH2:5][CH2:4][CH2:8][NH:20][C:15](=[NH:18])[NH2:19])[NH2:17])[OH:24] |
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