| Properties | Image |
|---|
| MNX_ID | MNXM1122318 |
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| reference | chebi:159710 |
| formula | C18H25N5O7 |
| global charge | 0 |
| mol weight | 423.426 |
| InChIKey | KWQPAXYXVMHJJR-AVGNSLFASA-N |
| InChI | InChI=1S/C18H25N5O7/c19-11(8-15(21)26)16(27)22-12(5-6-14(20)25)17(28)23-13(18(29)30)7-9-1-3-10(24)4-2-9/h1-4,11-13,24H,5-8,19H2,(H2,20,25)(H2,21,26)(H,22,27)(H,23,28)(H,29,30)/t11-,12-,13-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H25N5O7/c19-11(8-15(21)26)16(27)22-12(5-6-14(20)25)17(28)23-13(18(29)30)7-9-1-3-10(24)4-2-9/h1-4,11-13,24H,5-8,19H2,(H2,20,25)(H2,21,26)(H,22,27)(H,23,28)(H,29,30)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:10]([OH:24])=[CH:4][CH:2]=[C:9]1[CH2:7][C@@H:13]([C:18](=[O:29])[OH:30])[N:23]=[C:17]([C@H:12]([CH2:5][CH2:6][C:14](=[NH:20])[OH:25])[N:22]=[C:16]([C@H:11]([CH2:8][C:15](=[NH:21])[OH:26])[NH2:19])[OH:27])[OH:28] |
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