| Properties | Image |
|---|
| MNX_ID | MNXM1127624 |
 |
| reference | chebi:165051 |
| formula | C19H28N4O6 |
| global charge | 0 |
| mol weight | 408.455 |
| InChIKey | KEHKBBUYZWAMHL-DZKIICNBSA-N |
| InChI | InChI=1S/C19H28N4O6/c1-10(2)16(19(28)29)23-18(27)14(7-8-15(21)25)22-17(26)13(20)9-11-3-5-12(24)6-4-11/h3-6,10,13-14,16,24H,7-9,20H2,1-2H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,16-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H28N4O6/c1-10(2)16(19(28)29)23-18(27)14(7-8-15(21)25)22-17(26)13(20)9-11-3-5-12(24)6-4-11/h3-6,10,13-14,16,24H,7-9,20H2,1-2H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@@H:16]([C:19](=[O:28])[OH:29])[N:23]=[C:18]([C@H:14]([CH2:7][CH2:8][C:15](=[NH:21])[OH:25])[N:22]=[C:17]([C@H:13]([CH2:9][C:11]1=[CH:4][CH:6]=[C:12]([OH:24])[CH:5]=[CH:3]1)[NH2:20])[OH:26])[OH:27] |
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