| Properties | Image |
|---|
| MNX_ID | MNXM1120744 |
 |
| reference | chebi:158125 |
| formula | C19H25N5O5 |
| global charge | 0 |
| mol weight | 403.439 |
| InChIKey | PWYFCPCBOYMOGB-LKTVYLICSA-N |
| InChI | InChI=1S/C19H25N5O5/c1-10(20)17(26)23-14(6-7-16(21)25)18(27)24-15(19(28)29)8-11-9-22-13-5-3-2-4-12(11)13/h2-5,9-10,14-15,22H,6-8,20H2,1H3,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)/t10-,14-,15-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H25N5O5/c1-10(20)17(26)23-14(6-7-16(21)25)18(27)24-15(19(28)29)8-11-9-22-13-5-3-2-4-12(11)13/h2-5,9-10,14-15,22H,6-8,20H2,1H3,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)/t10-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:10]([C:17](=[N:23][C@@H:14]([CH2:6][CH2:7][C:16](=[NH:21])[OH:25])[C:18](=[N:24][C@@H:15]([CH2:8][C:11]1=[CH:9][NH:22][C:13]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:12]12)[C:19](=[O:28])[OH:29])[OH:27])[OH:26])[NH2:20] |
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