| Properties | Image |
|---|
| MNX_ID | MNXM104513 |
 |
| reference | chebi:70220 |
| formula | C21H21N3O6 |
| global charge | 0 |
| mol weight | 411.414 |
| InChIKey | UCASVLUQIKPWRX-INIZCTEOSA-N |
| InChI | InChI=1S/C21H21N3O6/c1-11(25)18-19-13(12-6-4-5-7-14(12)22-19)10-15(23-18)20(27)24(2)16(21(28)29)8-9-17(26)30-3/h4-7,10,16,22H,8-9H2,1-3H3,(H,28,29)/t16-/m0/s1 |
| SMILES | COC(=O)CC[C@@H](C(=O)O)N(C)C(=O)C1=NC(C(C)=O)=C2NC3=CC=CC=C3C2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H21N3O6/c1-11(25)18-19-13(12-6-4-5-7-14(12)22-19)10-15(23-18)20(27)24(2)16(21(28)29)8-9-17(26)30-3/h4-7,10,16,22H,8-9H2,1-3H3,(H,28,29)/t16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11]([C:18]1=[C:19]2[C:13](=[CH:10][C:15]([C:20]([N:24]([CH3:2])[C@@H:16]([CH2:8][CH2:9][C:17](=[O:26])[O:30][CH3:3])[C:21](=[O:28])[OH:29])=[O:27])=[N:23]1)[C:12]1=[CH:6][CH:4]=[CH:5][CH:7]=[C:14]1[NH:22]2)=[O:25] |
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