| Properties | Image |
|---|
| MNX_ID | MNXM164046 |
 |
| reference | sabiorkM:24773 |
| formula | C22H21N5O7 |
| global charge | 0 |
| mol weight | 467.438 |
| InChIKey | QHUBQNFYSLRYQG-KRWDZBQOSA-N |
| InChI | InChI=1S/C22H21N5O7/c23-22-25-16-6-1-12(9-15(16)20(32)26-22)10-27(11-28)14-4-2-13(3-5-14)19(31)24-17(21(33)34)7-8-18(29)30/h1-6,9,11,17H,7-8,10H2,(H,24,31)(H,29,30)(H,33,34)(H3,23,25,26,32)/t17-/m0/s1 |
| SMILES | N=C1N=C(O)C2=C(C=CC(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=C2)N1 |
MNX internals
| InChI (mnx) | InChI=1/C22H21N5O7/c23-22-25-16-6-1-12(9-15(16)20(32)26-22)10-27(11-28)14-4-2-13(3-5-14)19(31)24-17(21(33)34)7-8-18(29)30/h1-6,9,11,17H,7-8,10H2,(H,24,31)(H,29,30)(H,33,34)(H3,23,25,26,32)/t17-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:6][C:16]2=[C:15]([CH:9]=[C:12]1[CH2:10][N:27]([CH:11]=[O:28])[C:14]1=[CH:5][CH:3]=[C:13]([C:19]([NH:24][C@@H:17]([CH2:7][CH2:8][C:18](=[O:29])[OH:30])[C:21](=[O:33])[OH:34])=[O:31])[CH:2]=[CH:4]1)[C:20]([OH:32])=[N:26][C:22](=[NH:23])[NH:25]2 |
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