| Properties | Image |
| MNX_ID | MNXM1123705 |
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| reference | chebi:161107 |
| formula | C15H30N4O5S |
| global charge | 0 |
| mol weight | 378.495 |
| InChIKey | IHRFZLQEQVHXFA-RHYQMDGZSA-N |
| InChI | InChI=1S/C15H30N4O5S/c1-9(20)12(19-13(21)10(17)6-8-25-2)14(22)18-11(15(23)24)5-3-4-7-16/h9-12,20H,3-8,16-17H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)/t9-,10+,11+,12+/m1/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C15H30N4O5S/c1-9(20)12(19-13(21)10(17)6-8-25-2)14(22)18-11(15(23)24)5-3-4-7-16/h9-12,20H,3-8,16-17H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)/t9-,10+,11+,12+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:9]([C@@H:12]([C:14](=[N:18][C@@H:11]([CH2:5][CH2:3][CH2:4][CH2:7][NH2:16])[C:15](=[O:23])[OH:24])[OH:22])[N:19]=[C:13]([C@H:10]([CH2:6][CH2:8][S:25][CH3:2])[NH2:17])[OH:21])[OH:20] |
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