| Properties | Image |
|---|
| MNX_ID | MNXM1125454 |
 |
| reference | chebi:162866 |
| formula | C19H26N4O7 |
| global charge | 0 |
| mol weight | 422.438 |
| InChIKey | RFDHKPSHTXZKLL-IHRRRGAJSA-N |
| InChI | InChI=1S/C19H26N4O7/c20-12(6-9-16(25)26)17(27)22-13(7-8-15(21)24)18(28)23-14(19(29)30)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,20H2,(H2,21,24)(H,22,27)(H,23,28)(H,25,26)(H,29,30)/t12-,13-,14-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H26N4O7/c20-12(6-9-16(25)26)17(27)22-13(7-8-15(21)24)18(28)23-14(19(29)30)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,20H2,(H2,21,24)(H,22,27)(H,23,28)(H,25,26)(H,29,30)/t12-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:11]([CH2:10][C@@H:14]([C:19](=[O:29])[OH:30])[N:23]=[C:18]([C@H:13]([CH2:7][CH2:8][C:15](=[NH:21])[OH:24])[N:22]=[C:17]([C@H:12]([CH2:6][CH2:9][C:16](=[O:25])[OH:26])[NH2:20])[OH:27])[OH:28])[CH:5]=[CH:3]1 |
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