| Properties | Image |
|---|
| MNX_ID | MNXM1126887 |
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| reference | chebi:164304 |
| formula | C19H24N6O6 |
| global charge | 0 |
| mol weight | 432.437 |
| InChIKey | VOKCBYNCZVSILJ-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H24N6O6/c20-13(6-11-8-22-9-23-11)17(28)24-14(7-16(21)27)18(29)25-15(19(30)31)5-10-1-3-12(26)4-2-10/h1-4,8-9,13-15,26H,5-7,20H2,(H2,21,27)(H,22,23)(H,24,28)(H,25,29)(H,30,31)/t13-,14-,15-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H24N6O6/c20-13(6-11-8-22-9-23-11)17(28)24-14(7-16(21)27)18(29)25-15(19(30)31)5-10-1-3-12(26)4-2-10/h1-4,8-9,13-15,26H,5-7,20H2,(H2,21,27)(H,22,23)(H,24,28)(H,25,29)(H,30,31)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([OH:26])=[CH:4][CH:2]=[C:10]1[CH2:5][C@@H:15]([C:19](=[O:30])[OH:31])[N:25]=[C:18]([C@H:14]([CH2:7][C:16](=[NH:21])[OH:27])[N:24]=[C:17]([C@H:13]([CH2:6][C:11]1=[CH:8][N:22]=[CH:9][NH:23]1)[NH2:20])[OH:28])[OH:29] |
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