| Properties | Image |
|---|
| MNX_ID | MNXM1120672 |
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| reference | chebi:158053 |
| formula | C19H23N5O7 |
| global charge | 0 |
| mol weight | 433.421 |
| InChIKey | LPBWRHRHEIYAIP-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H23N5O7/c20-13(6-11-8-21-9-22-11)17(28)23-14(5-10-1-3-12(25)4-2-10)18(29)24-15(19(30)31)7-16(26)27/h1-4,8-9,13-15,25H,5-7,20H2,(H,21,22)(H,23,28)(H,24,29)(H,26,27)(H,30,31)/t13-,14-,15-/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H23N5O7/c20-13(6-11-8-21-9-22-11)17(28)23-14(5-10-1-3-12(25)4-2-10)18(29)24-15(19(30)31)7-16(26)27/h1-4,8-9,13-15,25H,5-7,20H2,(H,21,22)(H,23,28)(H,24,29)(H,26,27)(H,30,31)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([OH:25])=[CH:4][CH:2]=[C:10]1[CH2:5][C@@H:14]([C:18](=[N:24][C@@H:15]([CH2:7][C:16](=[O:26])[OH:27])[C:19](=[O:30])[OH:31])[OH:29])[N:23]=[C:17]([C@H:13]([CH2:6][C:11]1=[CH:8][N:21]=[CH:9][NH:22]1)[NH2:20])[OH:28] |
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