| Properties | Image |
|---|
| MNX_ID | MNXM1124886 |
 |
| reference | chebi:162293 |
| formula | C19H25N3O7 |
| global charge | 0 |
| mol weight | 407.423 |
| InChIKey | QGOZJLYCGRYYRW-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H25N3O7/c23-12-5-3-11(4-6-12)10-15(19(28)29)22-18(27)14(7-8-16(24)25)21-17(26)13-2-1-9-20-13/h3-6,13-15,20,23H,1-2,7-10H2,(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t13-,14-,15-/m0/s1 |
| SMILES | O=C(O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H25N3O7/c23-12-5-3-11(4-6-12)10-15(19(28)29)22-18(27)14(7-8-16(24)25)21-17(26)13-2-1-9-20-13/h3-6,13-15,20,23H,1-2,7-10H2,(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:13]([C:17](=[N:21][C@@H:14]([CH2:7][CH2:8][C:16](=[O:24])[OH:25])[C:18](=[N:22][C@@H:15]([CH2:10][C:11]2=[CH:4][CH:6]=[C:12]([OH:23])[CH:5]=[CH:3]2)[C:19](=[O:28])[OH:29])[OH:27])[OH:26])[NH:20][CH2:9]1 |
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