| Properties | Image |
| MNX_ID | MNXM1120658 |
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| reference | chebi:158039 |
| formula | C13H23N3O6 |
| global charge | 0 |
| mol weight | 317.342 |
| InChIKey | ZIWWTZWAKYBUOB-CIUDSAMLSA-N |
| InChI | InChI=1S/C13H23N3O6/c1-6(2)4-9(13(21)22)16-12(20)8(5-10(17)18)15-11(19)7(3)14/h6-9H,4-5,14H2,1-3H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N3O6/c1-6(2)4-9(13(21)22)16-12(20)8(5-10(17)18)15-11(19)7(3)14/h6-9H,4-5,14H2,1-3H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:4][C@@H:9]([C:13](=[O:21])[OH:22])[N:16]=[C:12]([C@H:8]([CH2:5][C:10](=[O:17])[OH:18])[N:15]=[C:11]([C@H:7]([CH3:3])[NH2:14])[OH:19])[OH:20] |
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