| Properties | Image |
|---|
| MNX_ID | MNXM1126385 |
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| reference | chebi:163799 |
| formula | C13H24N4O5 |
| global charge | 0 |
| mol weight | 316.358 |
| InChIKey | TWTPDFFBLQEBOE-IUCAKERBSA-N |
| InChI | InChI=1S/C13H24N4O5/c1-7(2)5-9(16-11(19)6-14)12(20)17-8(13(21)22)3-4-10(15)18/h7-9H,3-6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t8-,9-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H24N4O5/c1-7(2)5-9(16-11(19)6-14)12(20)17-8(13(21)22)3-4-10(15)18/h7-9H,3-6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[CH2:5][C@@H:9]([C:12](=[N:17][C@@H:8]([CH2:3][CH2:4][C:10](=[NH:15])[OH:18])[C:13](=[O:21])[OH:22])[OH:20])[N:16]=[C:11]([CH2:6][NH2:14])[OH:19] |
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