| Properties | Image |
|---|
| MNX_ID | MNXM1126905 |
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| reference | chebi:164322 |
| formula | C17H24N4O7 |
| global charge | 0 |
| mol weight | 396.4 |
| InChIKey | NJGMALCNYAMYCB-JRQIVUDYSA-N |
| InChI | InChI=1S/C17H24N4O7/c1-8(22)14(19)16(26)20-11(6-9-2-4-10(23)5-3-9)15(25)21-12(17(27)28)7-13(18)24/h2-5,8,11-12,14,22-23H,6-7,19H2,1H3,(H2,18,24)(H,20,26)(H,21,25)(H,27,28)/t8-,11+,12+,14+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H24N4O7/c1-8(22)14(19)16(26)20-11(6-9-2-4-10(23)5-3-9)15(25)21-12(17(27)28)7-13(18)24/h2-5,8,11-12,14,22-23H,6-7,19H2,1H3,(H2,18,24)(H,20,26)(H,21,25)(H,27,28)/t8-,11+,12+,14+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:8]([C@@H:14]([C:16](=[N:20][C@@H:11]([CH2:6][C:9]1=[CH:3][CH:5]=[C:10]([OH:23])[CH:4]=[CH:2]1)[C:15](=[N:21][C@@H:12]([CH2:7][C:13](=[NH:18])[OH:24])[C:17](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:19])[OH:22] |
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