| Properties | Image |
| MNX_ID | MNXM128449 |
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| reference | metacycM:CPD-17443 |
| formula | C11H17N2O5S |
| global charge | -1 |
| mol weight | 289.333 |
| InChIKey | FUTHBNRZCFKVQZ-YUMQZZPRSA-M |
| InChI | InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/p-1/t7-,8-/m0/s1 |
| SMILES | C=CCSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1 |
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| SMILES (mnx) | [CH2:1]=[CH:2][CH2:5][S:19][CH2:6][C@@H:8]([C:11](=[O:17])[OH:18])[N:13]=[C:9]([CH2:4][CH2:3][C@@H:7]([C:10](=[O:15])[OH:16])[NH2:12])[OH:14] |
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