| Properties | Image |
|---|
| MNX_ID | MNXM1123606 |
 |
| reference | chebi:161008 |
| formula | C19H27N3O7 |
| global charge | 0 |
| mol weight | 409.439 |
| InChIKey | NWAHPBGBDIFUFD-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H27N3O7/c1-10(2)7-15(19(28)29)22-18(27)14(8-11-3-5-12(23)6-4-11)21-17(26)13(20)9-16(24)25/h3-6,10,13-15,23H,7-9,20H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t13-,14-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H27N3O7/c1-10(2)7-15(19(28)29)22-18(27)14(8-11-3-5-12(23)6-4-11)21-17(26)13(20)9-16(24)25/h3-6,10,13-15,23H,7-9,20H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:7][C@@H:15]([C:19](=[O:28])[OH:29])[N:22]=[C:18]([C@H:14]([CH2:8][C:11]1=[CH:4][CH:6]=[C:12]([OH:23])[CH:5]=[CH:3]1)[N:21]=[C:17]([C@H:13]([CH2:9][C:16](=[O:24])[OH:25])[NH2:20])[OH:26])[OH:27] |
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