| Properties | Image |
|---|
| MNX_ID | MNXM1125163 |
 |
| reference | chebi:162573 |
| formula | C17H24N4O6 |
| global charge | 0 |
| mol weight | 380.401 |
| InChIKey | WTJIWXMJESRHMM-XDTLVQLUSA-N |
| InChI | InChI=1S/C17H24N4O6/c1-9(17(26)27)20-16(25)13(8-10-2-4-11(22)5-3-10)21-15(24)12(18)6-7-14(19)23/h2-5,9,12-13,22H,6-8,18H2,1H3,(H2,19,23)(H,20,25)(H,21,24)(H,26,27)/t9-,12-,13-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H24N4O6/c1-9(17(26)27)20-16(25)13(8-10-2-4-11(22)5-3-10)21-15(24)12(18)6-7-14(19)23/h2-5,9,12-13,22H,6-8,18H2,1H3,(H2,19,23)(H,20,25)(H,21,24)(H,26,27)/t9-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]([C:17](=[O:26])[OH:27])[N:20]=[C:16]([C@H:13]([CH2:8][C:10]1=[CH:3][CH:5]=[C:11]([OH:22])[CH:4]=[CH:2]1)[N:21]=[C:15]([C@H:12]([CH2:6][CH2:7][C:14](=[NH:19])[OH:23])[NH2:18])[OH:24])[OH:25] |
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