| Properties | Image |
|---|
| MNX_ID | MNXM1126339 |
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| reference | chebi:163753 |
| formula | C17H23N3O7 |
| global charge | 0 |
| mol weight | 381.385 |
| InChIKey | KRPKYGOFYUNIGM-XVSYOHENSA-N |
| InChI | InChI=1S/C17H23N3O7/c1-9(21)14(18)16(25)19-11(8-13(22)23)15(24)20-12(17(26)27)7-10-5-3-2-4-6-10/h2-6,9,11-12,14,21H,7-8,18H2,1H3,(H,19,25)(H,20,24)(H,22,23)(H,26,27)/t9-,11+,12+,14+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N3O7/c1-9(21)14(18)16(25)19-11(8-13(22)23)15(24)20-12(17(26)27)7-10-5-3-2-4-6-10/h2-6,9,11-12,14,21H,7-8,18H2,1H3,(H,19,25)(H,20,24)(H,22,23)(H,26,27)/t9-,11+,12+,14+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]([C@@H:14]([C:16](=[N:19][C@@H:11]([CH2:8][C:13](=[O:22])[OH:23])[C:15](=[N:20][C@@H:12]([CH2:7][C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:17](=[O:26])[OH:27])[OH:24])[OH:25])[NH2:18])[OH:21] |
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