| Properties | Image |
|---|
| MNX_ID | MNXM1125160 |
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| reference | chebi:162570 |
| formula | C18H25N3O5 |
| global charge | 0 |
| mol weight | 363.414 |
| InChIKey | SPLBRAKYXGOFSO-UNQGMJICSA-N |
| InChI | InChI=1S/C18H25N3O5/c1-11(22)15(18(25)26)21-17(24)14(10-12-6-3-2-4-7-12)20-16(23)13-8-5-9-19-13/h2-4,6-7,11,13-15,19,22H,5,8-10H2,1H3,(H,20,23)(H,21,24)(H,25,26)/t11-,13+,14+,15+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H25N3O5/c1-11(22)15(18(25)26)21-17(24)14(10-12-6-3-2-4-7-12)20-16(23)13-8-5-9-19-13/h2-4,6-7,11,13-15,19,22H,5,8-10H2,1H3,(H,20,23)(H,21,24)(H,25,26)/t11-,13+,14+,15+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]([C@@H:15]([C:18](=[O:25])[OH:26])[N:21]=[C:17]([C@H:14]([CH2:10][C:12]1=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]1)[N:20]=[C:16]([C@@H:13]1[CH2:8][CH2:5][CH2:9][NH:19]1)[OH:23])[OH:24])[OH:22] |
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