| Properties | Image |
|---|
| MNX_ID | MNXM1123006 |
 |
| reference | chebi:160404 |
| formula | C19H30N4O6 |
| global charge | 0 |
| mol weight | 410.471 |
| InChIKey | PPNCMJARTHYNEC-MEYUZBJRSA-N |
| InChI | InChI=1S/C19H30N4O6/c1-11(24)16(19(28)29)23-18(27)15(10-12-5-7-13(25)8-6-12)22-17(26)14(21)4-2-3-9-20/h5-8,11,14-16,24-25H,2-4,9-10,20-21H2,1H3,(H,22,26)(H,23,27)(H,28,29)/t11-,14+,15+,16+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H30N4O6/c1-11(24)16(19(28)29)23-18(27)15(10-12-5-7-13(25)8-6-12)22-17(26)14(21)4-2-3-9-20/h5-8,11,14-16,24-25H,2-4,9-10,20-21H2,1H3,(H,22,26)(H,23,27)(H,28,29)/t11-,14+,15+,16+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]([C@@H:16]([C:19](=[O:28])[OH:29])[N:23]=[C:18]([C@H:15]([CH2:10][C:12]1=[CH:6][CH:8]=[C:13]([OH:25])[CH:7]=[CH:5]1)[N:22]=[C:17]([C@H:14]([CH2:4][CH2:2][CH2:3][CH2:9][NH2:20])[NH2:21])[OH:26])[OH:27])[OH:24] |
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