| Properties | Image |
|---|
| MNX_ID | MNXM1126860 |
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| reference | chebi:164277 |
| formula | C17H25N3O7 |
| global charge | 0 |
| mol weight | 383.401 |
| InChIKey | GRIUMVXCJDKVPI-IZPVPAKOSA-N |
| InChI | InChI=1S/C17H25N3O7/c1-8(21)13(18)15(24)20-14(9(2)22)16(25)19-12(17(26)27)7-10-3-5-11(23)6-4-10/h3-6,8-9,12-14,21-23H,7,18H2,1-2H3,(H,19,25)(H,20,24)(H,26,27)/t8-,9-,12+,13+,14+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C17H25N3O7/c1-8(21)13(18)15(24)20-14(9(2)22)16(25)19-12(17(26)27)7-10-3-5-11(23)6-4-10/h3-6,8-9,12-14,21-23H,7,18H2,1-2H3,(H,19,25)(H,20,24)(H,26,27)/t8-,9-,12+,13+,14+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:8]([C@@H:13]([C:15](=[N:20][C@@H:14]([C@@H:9]([CH3:2])[OH:22])[C:16](=[N:19][C@@H:12]([CH2:7][C:10]1=[CH:4][CH:6]=[C:11]([OH:23])[CH:5]=[CH:3]1)[C:17](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:18])[OH:21] |
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