| Properties | Image |
|---|
| MNX_ID | MNXM1120720 |
 |
| reference | chebi:158101 |
| formula | C11H20N4O5S |
| global charge | 0 |
| mol weight | 320.371 |
| InChIKey | CVHJIWVKTFNGHT-ACZMJKKPSA-N |
| InChI | InChI=1S/C11H20N4O5S/c1-5(12)9(17)14-6(2-3-8(13)16)10(18)15-7(4-21)11(19)20/h5-7,21H,2-4,12H2,1H3,(H2,13,16)(H,14,17)(H,15,18)(H,19,20)/t5-,6-,7-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H20N4O5S/c1-5(12)9(17)14-6(2-3-8(13)16)10(18)15-7(4-21)11(19)20/h5-7,21H,2-4,12H2,1H3,(H2,13,16)(H,14,17)(H,15,18)(H,19,20)/t5-,6-,7-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:5]([C:9](=[N:14][C@@H:6]([CH2:2][CH2:3][C:8](=[NH:13])[OH:16])[C:10](=[N:15][C@@H:7]([CH2:4][SH:21])[C:11](=[O:19])[OH:20])[OH:18])[OH:17])[NH2:12] |
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