| Properties | Image |
| MNX_ID | MNXM1124242 |
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| reference | chebi:161644 |
| formula | C13H23N3O4S2 |
| global charge | 0 |
| mol weight | 349.478 |
| InChIKey | ZALVANCAZFPKIR-GUBZILKMSA-N |
| InChI | InChI=1S/C13H23N3O4S2/c1-22-6-4-9(13(19)20)15-11(17)10-3-2-5-16(10)12(18)8(14)7-21/h8-10,21H,2-7,14H2,1H3,(H,15,17)(H,19,20)/t8-,9-,10-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N3O4S2/c1-22-6-4-9(13(19)20)15-11(17)10-3-2-5-16(10)12(18)8(14)7-21/h8-10,21H,2-7,14H2,1H3,(H,15,17)(H,19,20)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:22][CH2:6][CH2:4][C@@H:9]([C:13](=[O:19])[OH:20])[N:15]=[C:11]([C@@H:10]1[CH2:3][CH2:2][CH2:5][N:16]1[C:12]([C@H:8]([CH2:7][SH:21])[NH2:14])=[O:18])[OH:17] |
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