| Properties | Image |
| MNX_ID | MNXM1125928 |
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| reference | chebi:163342 |
| formula | C16H21N3O7 |
| global charge | 0 |
| mol weight | 367.358 |
| InChIKey | UGTZYIPOBYXWRW-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H21N3O7/c17-10(8-20)14(23)18-11(6-9-4-2-1-3-5-9)15(24)19-12(16(25)26)7-13(21)22/h1-5,10-12,20H,6-8,17H2,(H,18,23)(H,19,24)(H,21,22)(H,25,26)/t10-,11-,12-/m0/s1 |
| SMILES | N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H21N3O7/c17-10(8-20)14(23)18-11(6-9-4-2-1-3-5-9)15(24)19-12(16(25)26)7-13(21)22/h1-5,10-12,20H,6-8,17H2,(H,18,23)(H,19,24)(H,21,22)(H,25,26)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]([CH2:6][C@@H:11]([C:15](=[N:19][C@@H:12]([CH2:7][C:13](=[O:21])[OH:22])[C:16](=[O:25])[OH:26])[OH:24])[N:18]=[C:14]([C@H:10]([CH2:8][OH:20])[NH2:17])[OH:23])[CH:5]=[CH:3]1 |
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