| Properties | Image |
|---|
| MNX_ID | MNXM1127727 |
 |
| reference | chebi:165154 |
| formula | C19H28N4O7 |
| global charge | 0 |
| mol weight | 424.454 |
| InChIKey | HSBZWINKRYZCSQ-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H28N4O7/c20-8-2-1-3-14(18(28)23-15(19(29)30)10-16(25)26)22-17(27)13(21)9-11-4-6-12(24)7-5-11/h4-7,13-15,24H,1-3,8-10,20-21H2,(H,22,27)(H,23,28)(H,25,26)(H,29,30)/t13-,14-,15-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H28N4O7/c20-8-2-1-3-14(18(28)23-15(19(29)30)10-16(25)26)22-17(27)13(21)9-11-4-6-12(24)7-5-11/h4-7,13-15,24H,1-3,8-10,20-21H2,(H,22,27)(H,23,28)(H,25,26)(H,29,30)/t13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][NH2:20])[CH2:3][C@@H:14]([C:18](=[N:23][C@@H:15]([CH2:10][C:16](=[O:25])[OH:26])[C:19](=[O:29])[OH:30])[OH:28])[N:22]=[C:17]([C@H:13]([CH2:9][C:11]1=[CH:5][CH:7]=[C:12]([OH:24])[CH:6]=[CH:4]1)[NH2:21])[OH:27] |
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