| Properties | Image |
| MNX_ID | MNXM1121090 |
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| reference | chebi:158477 |
| formula | C17H23N3O5 |
| global charge | 0 |
| mol weight | 349.387 |
| InChIKey | CQJHFKKGZXKZBC-BPNCWPANSA-N |
| InChI | InChI=1S/C17H23N3O5/c1-10(18)16(23)20-8-2-3-14(20)15(22)19-13(17(24)25)9-11-4-6-12(21)7-5-11/h4-7,10,13-14,21H,2-3,8-9,18H2,1H3,(H,19,22)(H,24,25)/t10-,13-,14-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N3O5/c1-10(18)16(23)20-8-2-3-14(20)15(22)19-13(17(24)25)9-11-4-6-12(21)7-5-11/h4-7,10,13-14,21H,2-3,8-9,18H2,1H3,(H,19,22)(H,24,25)/t10-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:10]([C:16]([N:20]1[CH2:8][CH2:2][CH2:3][C@H:14]1[C:15](=[N:19][C@@H:13]([CH2:9][C:11]1=[CH:5][CH:7]=[C:12]([OH:21])[CH:6]=[CH:4]1)[C:17](=[O:24])[OH:25])[OH:22])=[O:23])[NH2:18] |
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