| Properties | Image |
| MNX_ID | MNXM1121608 |
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| reference | chebi:158996 |
| formula | C17H26N6O5 |
| global charge | 0 |
| mol weight | 394.432 |
| InChIKey | ZZZWQALDSQQBEW-STQMWFEESA-N |
| InChI | InChI=1S/C17H26N6O5/c18-12(2-1-7-21-17(19)20)15(26)22-9-14(25)23-13(16(27)28)8-10-3-5-11(24)6-4-10/h3-6,12-13,24H,1-2,7-9,18H2,(H,22,26)(H,23,25)(H,27,28)(H4,19,20,21)/t12-,13-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H26N6O5/c18-12(2-1-7-21-17(19)20)15(26)22-9-14(25)23-13(16(27)28)8-10-3-5-11(24)6-4-10/h3-6,12-13,24H,1-2,7-9,18H2,(H,22,26)(H,23,25)(H,27,28)(H4,19,20,21)/t12-,13-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:12]([C:15](=[N:22][CH2:9][C:14](=[N:23][C@@H:13]([CH2:8][C:10]1=[CH:4][CH:6]=[C:11]([OH:24])[CH:5]=[CH:3]1)[C:16](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:18])[CH2:7][NH:21][C:17](=[NH:19])[NH2:20] |
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