| Properties | Image |
|---|
| MNX_ID | MNXM1126538 |
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| reference | chebi:163953 |
| formula | C19H25N5O5 |
| global charge | 0 |
| mol weight | 403.439 |
| InChIKey | UDNVOQMPQBEITB-MEYUZBJRSA-N |
| InChI | InChI=1S/C19H25N5O5/c1-11(25)16(20)18(27)23-14(8-13-9-21-10-22-13)17(26)24-15(19(28)29)7-12-5-3-2-4-6-12/h2-6,9-11,14-16,25H,7-8,20H2,1H3,(H,21,22)(H,23,27)(H,24,26)(H,28,29)/t11-,14+,15+,16+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H25N5O5/c1-11(25)16(20)18(27)23-14(8-13-9-21-10-22-13)17(26)24-15(19(28)29)7-12-5-3-2-4-6-12/h2-6,9-11,14-16,25H,7-8,20H2,1H3,(H,21,22)(H,23,27)(H,24,26)(H,28,29)/t11-,14+,15+,16+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:11]([C@@H:16]([C:18](=[N:23][C@@H:14]([CH2:8][C:13]1=[CH:9][N:21]=[CH:10][NH:22]1)[C:17](=[N:24][C@@H:15]([CH2:7][C:12]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:19](=[O:28])[OH:29])[OH:26])[OH:27])[NH2:20])[OH:25] |
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