| Properties | Image |
|---|
| MNX_ID | MNXM1122232 |
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| reference | chebi:159623 |
| formula | C19H29N3O6 |
| global charge | 0 |
| mol weight | 395.456 |
| InChIKey | BGGTYDNTOYRTTR-MEYUZBJRSA-N |
| InChI | InChI=1S/C19H29N3O6/c1-10(2)8-14(20)17(25)21-15(9-12-4-6-13(24)7-5-12)18(26)22-16(11(3)23)19(27)28/h4-7,10-11,14-16,23-24H,8-9,20H2,1-3H3,(H,21,25)(H,22,26)(H,27,28)/t11-,14+,15+,16+/m1/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C19H29N3O6/c1-10(2)8-14(20)17(25)21-15(9-12-4-6-13(24)7-5-12)18(26)22-16(11(3)23)19(27)28/h4-7,10-11,14-16,23-24H,8-9,20H2,1-3H3,(H,21,25)(H,22,26)(H,27,28)/t11-,14+,15+,16+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:8][C@@H:14]([C:17](=[N:21][C@@H:15]([CH2:9][C:12]1=[CH:5][CH:7]=[C:13]([OH:24])[CH:6]=[CH:4]1)[C:18](=[N:22][C@@H:16]([C@@H:11]([CH3:3])[OH:23])[C:19](=[O:27])[OH:28])[OH:26])[OH:25])[NH2:20] |
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