| Properties | Image |
|---|
| MNX_ID | MNXM744947 |
 |
| reference | biggM:trpproval |
| formula | C21H28N4O4 |
| global charge | 0 |
| mol weight | 400.479 |
| InChIKey | JEYRCNVVYHTZMY-KBAYOESNSA-N |
| InChI | InChI=1S/C21H28N4O4/c1-12(2)18(21(28)29)24-19(26)17-8-5-9-25(17)20(27)15(22)10-13-11-23-16-7-4-3-6-14(13)16/h3-4,6-7,11-12,15,17-18,23H,5,8-10,22H2,1-2H3,(H,24,26)(H,28,29)/t15-,17-,18-/m1/s1 |
| SMILES | CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H28N4O4/c1-12(2)18(21(28)29)24-19(26)17-8-5-9-25(17)20(27)15(22)10-13-11-23-16-7-4-3-6-14(13)16/h3-4,6-7,11-12,15,17-18,23H,5,8-10,22H2,1-2H3,(H,24,26)(H,28,29)/t15-,17-,18-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[C@H:18]([C:21](=[O:28])[OH:29])[N:24]=[C:19]([C@H:17]1[CH2:8][CH2:5][CH2:9][N:25]1[C:20]([C@@H:15]([CH2:10][C:13]1=[CH:11][NH:23][C:16]2=[CH:7][CH:4]=[CH:3][CH:6]=[C:14]12)[NH2:22])=[O:27])[OH:26] |
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