| Properties | Image |
|---|
| MNX_ID | MNXM1126989 |
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| reference | chebi:164406 |
| formula | C19H25N5O5 |
| global charge | 0 |
| mol weight | 403.439 |
| InChIKey | WFZYXGSAPWKTHR-XEGUGMAKSA-N |
| InChI | InChI=1S/C19H25N5O5/c1-10(17(26)24-15(19(28)29)6-7-16(21)25)23-18(27)13(20)8-11-9-22-14-5-3-2-4-12(11)14/h2-5,9-10,13,15,22H,6-8,20H2,1H3,(H2,21,25)(H,23,27)(H,24,26)(H,28,29)/t10-,13-,15-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H25N5O5/c1-10(17(26)24-15(19(28)29)6-7-16(21)25)23-18(27)13(20)8-11-9-22-14-5-3-2-4-12(11)14/h2-5,9-10,13,15,22H,6-8,20H2,1H3,(H2,21,25)(H,23,27)(H,24,26)(H,28,29)/t10-,13-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:10]([C:17](=[N:24][C@@H:15]([CH2:6][CH2:7][C:16](=[NH:21])[OH:25])[C:19](=[O:28])[OH:29])[OH:26])[N:23]=[C:18]([C@H:13]([CH2:8][C:11]1=[CH:9][NH:22][C:14]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:12]12)[NH2:20])[OH:27] |
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