| Properties | Image |
| MNX_ID | MNXM164703 |
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| reference | metacycM:CPD-19203 |
| formula | C19H21N3O7 |
| global charge | 0 |
| mol weight | 403.391 |
| InChIKey | ZYPJZNYMRGJBEP-XHSDSOJGSA-N |
| InChI | InChI=1S/C19H21N3O7/c20-15(10-1-5-12(24)6-2-10)18(27)21-14(9-23)17(26)22-16(19(28)29)11-3-7-13(25)8-4-11/h1-8,14-16,23-25H,9,20H2,(H,21,27)(H,22,26)(H,28,29)/t14-,15+,16-/m0/s1 |
| SMILES | [NH3+][C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[O-])C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H21N3O7/c20-15(10-1-5-12(24)6-2-10)18(27)21-14(9-23)17(26)22-16(19(28)29)11-3-7-13(25)8-4-11/h1-8,14-16,23-25H,9,20H2,(H,21,27)(H,22,26)(H,28,29)/t14-,15+,16-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:5][C:12]([OH:24])=[CH:6][CH:2]=[C:10]1[C@H:15]([C:18](=[N:21][C@@H:14]([CH2:9][OH:23])[C:17](=[N:22][C@@H:16]([C:11]1=[CH:4][CH:8]=[C:13]([OH:25])[CH:7]=[CH:3]1)[C:19](=[O:28])[OH:29])[OH:26])[OH:27])[NH2:20] |
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