| Properties | Image |
|---|
| MNX_ID | MNXM1128377 |
 |
| reference | chebi:166419 |
| formula | C19H27N3O7 |
| global charge | 0 |
| mol weight | 409.439 |
| InChIKey | PFMSJVIPEZMKSC-DZKIICNBSA-N |
| InChI | InChI=1S/C19H27N3O7/c1-10(2)16(20)18(27)22-14(9-11-3-5-12(23)6-4-11)17(26)21-13(19(28)29)7-8-15(24)25/h3-6,10,13-14,16,23H,7-9,20H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t13-,14-,16-/m0/s1 |
| SMILES | CC(C)[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H27N3O7/c1-10(2)16(20)18(27)22-14(9-11-3-5-12(23)6-4-11)17(26)21-13(19(28)29)7-8-15(24)25/h3-6,10,13-14,16,23H,7-9,20H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t13-,14-,16-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@@H:16]([C:18](=[N:22][C@@H:14]([CH2:9][C:11]1=[CH:4][CH:6]=[C:12]([OH:23])[CH:5]=[CH:3]1)[C:17](=[N:21][C@@H:13]([CH2:7][CH2:8][C:15](=[O:24])[OH:25])[C:19](=[O:28])[OH:29])[OH:26])[OH:27])[NH2:20] |
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