| Properties | Image |
|---|
| MNX_ID | MNXM744657 |
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| reference | biggM:aspvalasn |
| formula | C13H21N4O7 |
| global charge | -1 |
| mol weight | 345.332 |
| InChIKey | PLOKOIJSGCISHE-XSSZXYGBSA-M |
| InChI | InChI=1S/C13H22N4O7/c1-5(2)10(17-11(21)6(14)3-9(19)20)12(22)16-7(13(23)24)4-8(15)18/h5-7,10H,3-4,14H2,1-2H3,(H2,15,18)(H,16,22)(H,17,21)(H,19,20)(H,23,24)/p-1/t6-,7-,10+/m1/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)N[C@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H22N4O7/c1-5(2)10(17-11(21)6(14)3-9(19)20)12(22)16-7(13(23)24)4-8(15)18/h5-7,10H,3-4,14H2,1-2H3,(H2,15,18)(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t6-,7-,10+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:5]([CH3:2])[C@@H:10]([C:12](=[N:16][C@H:7]([CH2:4][C:8](=[NH:15])[OH:18])[C:13](=[O:23])[OH:24])[OH:22])[N:17]=[C:11]([C@@H:6]([CH2:3][C:9](=[O:19])[OH:20])[NH2:14])[OH:21] |
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