| Properties | Image |
|---|
| MNX_ID | MNXM1124998 |
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| reference | chebi:162408 |
| formula | C18H26N4O6 |
| global charge | 0 |
| mol weight | 394.428 |
| InChIKey | DRNMNLKUUKKPIA-HTUGSXCWSA-N |
| InChI | InChI=1S/C18H26N4O6/c1-10(23)15(18(27)28)22-17(26)13(9-11-5-3-2-4-6-11)21-16(25)12(19)7-8-14(20)24/h2-6,10,12-13,15,23H,7-9,19H2,1H3,(H2,20,24)(H,21,25)(H,22,26)(H,27,28)/t10-,12+,13+,15+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H26N4O6/c1-10(23)15(18(27)28)22-17(26)13(9-11-5-3-2-4-6-11)21-16(25)12(19)7-8-14(20)24/h2-6,10,12-13,15,23H,7-9,19H2,1H3,(H2,20,24)(H,21,25)(H,22,26)(H,27,28)/t10-,12+,13+,15+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]([C@@H:15]([C:18](=[O:27])[OH:28])[N:22]=[C:17]([C@H:13]([CH2:9][C:11]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[N:21]=[C:16]([C@H:12]([CH2:7][CH2:8][C:14](=[NH:20])[OH:24])[NH2:19])[OH:25])[OH:26])[OH:23] |
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