| Properties | Image |
| MNX_ID | MNXM1125922 |
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| reference | chebi:163336 |
| formula | C15H21N3O5 |
| global charge | 0 |
| mol weight | 323.349 |
| InChIKey | NQZFFLBPNDLTPO-DLOVCJGASA-N |
| InChI | InChI=1S/C15H21N3O5/c1-9(15(22)23)17-14(21)12(18-13(20)11(16)8-19)7-10-5-3-2-4-6-10/h2-6,9,11-12,19H,7-8,16H2,1H3,(H,17,21)(H,18,20)(H,22,23)/t9-,11-,12-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N3O5/c1-9(15(22)23)17-14(21)12(18-13(20)11(16)8-19)7-10-5-3-2-4-6-10/h2-6,9,11-12,19H,7-8,16H2,1H3,(H,17,21)(H,18,20)(H,22,23)/t9-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:9]([C:15](=[O:22])[OH:23])[N:17]=[C:14]([C@H:12]([CH2:7][C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[N:18]=[C:13]([C@H:11]([CH2:8][OH:19])[NH2:16])[OH:20])[OH:21] |
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