| Properties | Image |
|---|
| MNX_ID | MNXM1124591 |
 |
| reference | chebi:161996 |
| formula | C20H27N5O4 |
| global charge | 0 |
| mol weight | 401.467 |
| InChIKey | FXEKNHAJIMHRFJ-ULQDDVLXSA-N |
| InChI | InChI=1S/C20H27N5O4/c1-12(2)17(25-18(26)15(21)8-13-6-4-3-5-7-13)19(27)24-16(20(28)29)9-14-10-22-11-23-14/h3-7,10-12,15-17H,8-9,21H2,1-2H3,(H,22,23)(H,24,27)(H,25,26)(H,28,29)/t15-,16-,17-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H27N5O4/c1-12(2)17(25-18(26)15(21)8-13-6-4-3-5-7-13)19(27)24-16(20(28)29)9-14-10-22-11-23-14/h3-7,10-12,15-17H,8-9,21H2,1-2H3,(H,22,23)(H,24,27)(H,25,26)(H,28,29)/t15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[C@@H:17]([C:19](=[N:24][C@@H:16]([CH2:9][C:14]1=[CH:10][N:22]=[CH:11][NH:23]1)[C:20](=[O:28])[OH:29])[OH:27])[N:25]=[C:18]([C@H:15]([CH2:8][C:13]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[NH2:21])[OH:26] |
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