| Properties | Image |
| MNX_ID | MNXM1123919 |
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| reference | chebi:161321 |
| formula | C14H25N3O6S |
| global charge | 0 |
| mol weight | 363.436 |
| InChIKey | KABHAOSDMIYXTR-GUBZILKMSA-N |
| InChI | InChI=1S/C14H25N3O6S/c1-7(2)5-10(14(22)23)17-13(21)9(3-4-11(18)19)16-12(20)8(15)6-24/h7-10,24H,3-6,15H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N3O6S/c1-7(2)5-10(14(22)23)17-13(21)9(3-4-11(18)19)16-12(20)8(15)6-24/h7-10,24H,3-6,15H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[CH2:5][C@@H:10]([C:14](=[O:22])[OH:23])[N:17]=[C:13]([C@H:9]([CH2:3][CH2:4][C:11](=[O:18])[OH:19])[N:16]=[C:12]([C@H:8]([CH2:6][SH:24])[NH2:15])[OH:20])[OH:21] |
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