| Properties | Image |
|---|
| MNX_ID | MNXM1127256 |
 |
| reference | chebi:164678 |
| formula | C18H23N5O5 |
| global charge | 0 |
| mol weight | 389.412 |
| InChIKey | SVGAWGVHFIYAEE-JSGCOSHPSA-N |
| InChI | InChI=1S/C18H23N5O5/c19-12(7-10-8-21-13-4-2-1-3-11(10)13)17(26)22-9-16(25)23-14(18(27)28)5-6-15(20)24/h1-4,8,12,14,21H,5-7,9,19H2,(H2,20,24)(H,22,26)(H,23,25)(H,27,28)/t12-,14-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)CNC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H23N5O5/c19-12(7-10-8-21-13-4-2-1-3-11(10)13)17(26)22-9-16(25)23-14(18(27)28)5-6-15(20)24/h1-4,8,12,14,21H,5-7,9,19H2,(H2,20,24)(H,22,26)(H,23,25)(H,27,28)/t12-,14-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]2[C:11](=[CH:3]1)[C:10]([CH2:7][C@@H:12]([C:17](=[N:22][CH2:9][C:16](=[N:23][C@@H:14]([CH2:5][CH2:6][C:15](=[NH:20])[OH:24])[C:18](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:19])=[CH:8][NH:21]2 |
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