| Properties | Image |
| MNX_ID | MNXM1126235 |
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| reference | chebi:163649 |
| formula | C13H26N6O5 |
| global charge | 0 |
| mol weight | 346.388 |
| InChIKey | CAGTXGDOIFXLPC-KZVJFYERSA-N |
| InChI | InChI=1S/C13H26N6O5/c1-6(12(23)24)18-10(21)8(4-3-5-17-13(15)16)19-11(22)9(14)7(2)20/h6-9,20H,3-5,14H2,1-2H3,(H,18,21)(H,19,22)(H,23,24)(H4,15,16,17)/t6-,7+,8-,9-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H26N6O5/c1-6(12(23)24)18-10(21)8(4-3-5-17-13(15)16)19-11(22)9(14)7(2)20/h6-9,20H,3-5,14H2,1-2H3,(H,18,21)(H,19,22)(H,23,24)(H4,15,16,17)/t6-,7+,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:6]([C:12](=[O:23])[OH:24])[N:18]=[C:10]([C@H:8]([CH2:4][CH2:3][CH2:5][NH:17][C:13](=[NH:15])[NH2:16])[N:19]=[C:11]([C@H:9]([C@@H:7]([CH3:2])[OH:20])[NH2:14])[OH:22])[OH:21] |
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