| Properties | Image |
|---|
| MNX_ID | MNXM1123317 |
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| reference | chebi:160718 |
| formula | C14H25N3O7S |
| global charge | 0 |
| mol weight | 379.435 |
| InChIKey | JPCHYAUKOUGOIB-HJGDQZAQSA-N |
| InChI | InChI=1S/C14H25N3O7S/c1-7(18)11(14(23)24)17-13(22)9(3-4-10(19)20)16-12(21)8(15)5-6-25-2/h7-9,11,18H,3-6,15H2,1-2H3,(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t7-,8+,9+,11+/m1/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N3O7S/c1-7(18)11(14(23)24)17-13(22)9(3-4-10(19)20)16-12(21)8(15)5-6-25-2/h7-9,11,18H,3-6,15H2,1-2H3,(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t7-,8+,9+,11+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:7]([C@@H:11]([C:14](=[O:23])[OH:24])[N:17]=[C:13]([C@H:9]([CH2:3][CH2:4][C:10](=[O:19])[OH:20])[N:16]=[C:12]([C@H:8]([CH2:5][CH2:6][S:25][CH3:2])[NH2:15])[OH:21])[OH:22])[OH:18] |
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