| Properties | Image |
| MNX_ID | MNXM1121297 |
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| reference | chebi:158685 |
| formula | C13H25N7O5 |
| global charge | 0 |
| mol weight | 359.387 |
| InChIKey | DFCIPNHFKOQAME-FXQIFTODSA-N |
| InChI | InChI=1S/C13H25N7O5/c1-6(10(22)20-8(12(24)25)5-9(15)21)19-11(23)7(14)3-2-4-18-13(16)17/h6-8H,2-5,14H2,1H3,(H2,15,21)(H,19,23)(H,20,22)(H,24,25)(H4,16,17,18)/t6-,7-,8-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N7O5/c1-6(10(22)20-8(12(24)25)5-9(15)21)19-11(23)7(14)3-2-4-18-13(16)17/h6-8H,2-5,14H2,1H3,(H2,15,21)(H,19,23)(H,20,22)(H,24,25)(H4,16,17,18)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:6]([C:10](=[N:20][C@@H:8]([CH2:5][C:9](=[NH:15])[OH:21])[C:12](=[O:24])[OH:25])[OH:22])[N:19]=[C:11]([C@H:7]([CH2:3][CH2:2][CH2:4][NH:18][C:13](=[NH:16])[NH2:17])[NH2:14])[OH:23] |
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