| Properties | Image |
| MNX_ID | MNXM1122044 |
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| reference | chebi:159433 |
| formula | C18H27N3O5 |
| global charge | 0 |
| mol weight | 365.43 |
| InChIKey | PTRKPHUGYULXPU-KKUMJFAQSA-N |
| InChI | InChI=1S/C18H27N3O5/c1-11(2)8-13(19)16(23)20-14(9-12-6-4-3-5-7-12)17(24)21-15(10-22)18(25)26/h3-7,11,13-15,22H,8-10,19H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/t13-,14-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H27N3O5/c1-11(2)8-13(19)16(23)20-14(9-12-6-4-3-5-7-12)17(24)21-15(10-22)18(25)26/h3-7,11,13-15,22H,8-10,19H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:8][C@@H:13]([C:16](=[N:20][C@@H:14]([CH2:9][C:12]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:17](=[N:21][C@@H:15]([CH2:10][OH:22])[C:18](=[O:25])[OH:26])[OH:24])[OH:23])[NH2:19] |
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