| Properties | Image |
|---|
| MNX_ID | MNXM744711 |
 |
| reference | biggM:glntrpglu |
| formula | C21H26N5O7 |
| global charge | -1 |
| mol weight | 460.467 |
| InChIKey | DITJVHONFRJKJW-BMFZPTHFSA-M |
| InChI | InChI=1S/C21H27N5O7/c22-13(5-7-17(23)27)19(30)26-16(9-11-10-24-14-4-2-1-3-12(11)14)20(31)25-15(21(32)33)6-8-18(28)29/h1-4,10,13,15-16,24H,5-9,22H2,(H2,23,27)(H,25,31)(H,26,30)(H,28,29)(H,32,33)/p-1/t13-,15-,16+/m1/s1 |
| SMILES | NC(=O)CC[C@@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CCC(=O)[O-])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H27N5O7/c22-13(5-7-17(23)27)19(30)26-16(9-11-10-24-14-4-2-1-3-12(11)14)20(31)25-15(21(32)33)6-8-18(28)29/h1-4,10,13,15-16,24H,5-9,22H2,(H2,23,27)(H,25,31)(H,26,30)(H,28,29)(H,32,33)/t13-,15-,16+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:14]2[C:12](=[CH:3]1)[C:11]([CH2:9][C@@H:16]([C:20](=[N:25][C@H:15]([CH2:6][CH2:8][C:18](=[O:28])[OH:29])[C:21](=[O:32])[OH:33])[OH:31])[N:26]=[C:19]([C@@H:13]([CH2:5][CH2:7][C:17](=[NH:23])[OH:27])[NH2:22])[OH:30])=[CH:10][NH:24]2 |
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