| Properties | Image |
|---|
| MNX_ID | MNXM1127706 |
 |
| reference | chebi:165133 |
| formula | C19H28N4O6 |
| global charge | 0 |
| mol weight | 408.455 |
| InChIKey | MVFQLSPDMMFCMW-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H28N4O6/c1-10(2)7-14(18(27)23-15(19(28)29)9-16(21)25)22-17(26)13(20)8-11-3-5-12(24)6-4-11/h3-6,10,13-15,24H,7-9,20H2,1-2H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H28N4O6/c1-10(2)7-14(18(27)23-15(19(28)29)9-16(21)25)22-17(26)13(20)8-11-3-5-12(24)6-4-11/h3-6,10,13-15,24H,7-9,20H2,1-2H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:7][C@@H:14]([C:18](=[N:23][C@@H:15]([CH2:9][C:16](=[NH:21])[OH:25])[C:19](=[O:28])[OH:29])[OH:27])[N:22]=[C:17]([C@H:13]([CH2:8][C:11]1=[CH:4][CH:6]=[C:12]([OH:24])[CH:5]=[CH:3]1)[NH2:20])[OH:26] |
|