| Properties | Image |
| MNX_ID | MNXM1126727 |
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| reference | chebi:164142 |
| formula | C15H21N3O5 |
| global charge | 0 |
| mol weight | 323.349 |
| InChIKey | BIBYEFRASCNLAA-CDMKHQONSA-N |
| InChI | InChI=1S/C15H21N3O5/c1-9(19)13(16)15(23)18-11(14(22)17-8-12(20)21)7-10-5-3-2-4-6-10/h2-6,9,11,13,19H,7-8,16H2,1H3,(H,17,22)(H,18,23)(H,20,21)/t9-,11+,13+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N3O5/c1-9(19)13(16)15(23)18-11(14(22)17-8-12(20)21)7-10-5-3-2-4-6-10/h2-6,9,11,13,19H,7-8,16H2,1H3,(H,17,22)(H,18,23)(H,20,21)/t9-,11+,13+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:9]([C@@H:13]([C:15](=[N:18][C@@H:11]([CH2:7][C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:14](=[N:17][CH2:8][C:12](=[O:20])[OH:21])[OH:22])[OH:23])[NH2:16])[OH:19] |
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