| Properties | Image |
|---|
| MNX_ID | MNXM163855 |
 |
| reference | biggM:CE5867 |
| formula | C20H32N5O9 |
| global charge | -1 |
| mol weight | 486.502 |
| InChIKey | HJDRXEQUFWLOGJ-XGUBFFRZSA-M |
| InChI | InChI=1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/p-1/t12-,13+,14-,15-/m0/s1 |
| SMILES | CC(=O)N[C@@H](CO)C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/t12-,13+,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:11](=[N:22][C@@H:14]([CH2:10][OH:26])[C:18](=[N:24][C@H:13]([CH2:9][C:16](=[O:28])[OH:29])[C:17](=[N:23][C@@H:12]([CH2:5][CH2:2][CH2:3][CH2:7][NH2:21])[C:19]([N:25]1[CH2:8][CH2:4][CH2:6][C@H:15]1[C:20](=[O:33])[OH:34])=[O:32])[OH:30])[OH:31])[OH:27] |
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