| Properties | Image |
|---|
| MNX_ID | MNXM744649 |
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| reference | biggM:aspglupro |
| formula | C14H19N3O8 |
| global charge | -2 |
| mol weight | 357.319 |
| InChIKey | ZEDBMCPXPIYJLW-AFPNSQJFSA-L |
| InChI | InChI=1S/C14H21N3O8/c15-7(6-11(20)21)12(22)16-8(3-4-10(18)19)13(23)17-5-1-2-9(17)14(24)25/h7-9H,1-6,15H2,(H,16,22)(H,18,19)(H,20,21)(H,24,25)/p-2/t7-,8?,9?/m1/s1 |
| SMILES | N[C@H](CC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(=O)N1CCCC1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H21N3O8/c15-7(6-11(20)21)12(22)16-8(3-4-10(18)19)13(23)17-5-1-2-9(17)14(24)25/h7-9H,1-6,15H2,(H,16,22)(H,18,19)(H,20,21)(H,24,25)/t7-,8?,9?/m1/s1 |
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| SMILES (mnx) | [CH2:1]1[CH2:2][CH:9]([C:14](=[O:24])[OH:25])[N:17]([C:13]([CH:8]([CH2:3][CH2:4][C:10](=[O:18])[OH:19])[N:16]=[C:12]([C@@H:7]([CH2:6][C:11](=[O:20])[OH:21])[NH2:15])[OH:22])=[O:23])[CH2:5]1 |
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