| Properties | Image |
|---|
| MNX_ID | MNXM1122199 |
 |
| reference | chebi:159590 |
| formula | C17H23N5O7 |
| global charge | 0 |
| mol weight | 409.399 |
| InChIKey | BVLIJXXSXBUGEC-SRVKXCTJSA-N |
| InChI | InChI=1S/C17H23N5O7/c18-10(6-13(19)24)15(26)21-11(7-14(20)25)16(27)22-12(17(28)29)5-8-1-3-9(23)4-2-8/h1-4,10-12,23H,5-7,18H2,(H2,19,24)(H2,20,25)(H,21,26)(H,22,27)(H,28,29)/t10-,11-,12-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N5O7/c18-10(6-13(19)24)15(26)21-11(7-14(20)25)16(27)22-12(17(28)29)5-8-1-3-9(23)4-2-8/h1-4,10-12,23H,5-7,18H2,(H2,19,24)(H2,20,25)(H,21,26)(H,22,27)(H,28,29)/t10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:23])=[CH:4][CH:2]=[C:8]1[CH2:5][C@@H:12]([C:17](=[O:28])[OH:29])[N:22]=[C:16]([C@H:11]([CH2:7][C:14](=[NH:20])[OH:25])[N:21]=[C:15]([C@H:10]([CH2:6][C:13](=[NH:19])[OH:24])[NH2:18])[OH:26])[OH:27] |
|