| Properties | Image |
|---|
| MNX_ID | MNXM744931 |
 |
| reference | biggM:trpglupro |
| formula | C21H25N4O6 |
| global charge | -1 |
| mol weight | 429.453 |
| InChIKey | KDWZQYUTMJSYRJ-PVAVHDDUSA-M |
| InChI | InChI=1S/C21H26N4O6/c22-14(10-12-11-23-15-5-2-1-4-13(12)15)19(28)24-16(7-8-18(26)27)20(29)25-9-3-6-17(25)21(30)31/h1-2,4-5,11,14,16-17,23H,3,6-10,22H2,(H,24,28)(H,26,27)(H,30,31)/p-1/t14-,16+,17+/m1/s1 |
| SMILES | N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H26N4O6/c22-14(10-12-11-23-15-5-2-1-4-13(12)15)19(28)24-16(7-8-18(26)27)20(29)25-9-3-6-17(25)21(30)31/h1-2,4-5,11,14,16-17,23H,3,6-10,22H2,(H,24,28)(H,26,27)(H,30,31)/t14-,16+,17+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:15]2[C:13](=[CH:4]1)[C:12]([CH2:10][C@H:14]([C:19](=[N:24][C@@H:16]([CH2:7][CH2:8][C:18](=[O:26])[OH:27])[C:20]([N:25]1[CH2:9][CH2:3][CH2:6][C@H:17]1[C:21](=[O:30])[OH:31])=[O:29])[OH:28])[NH2:22])=[CH:11][NH:23]2 |
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