| Properties | Image |
| MNX_ID | MNXM1124240 |
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| reference | chebi:161642 |
| formula | C14H26N4O4S |
| global charge | 0 |
| mol weight | 346.453 |
| InChIKey | HMWBPUDETPKSSS-DCAQKATOSA-N |
| InChI | InChI=1S/C14H26N4O4S/c15-6-2-1-4-10(14(21)22)17-12(19)11-5-3-7-18(11)13(20)9(16)8-23/h9-11,23H,1-8,15-16H2,(H,17,19)(H,21,22)/t9-,10-,11-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H26N4O4S/c15-6-2-1-4-10(14(21)22)17-12(19)11-5-3-7-18(11)13(20)9(16)8-23/h9-11,23H,1-8,15-16H2,(H,17,19)(H,21,22)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:6][NH2:15])[CH2:4][C@@H:10]([C:14](=[O:21])[OH:22])[N:17]=[C:12]([C@@H:11]1[CH2:5][CH2:3][CH2:7][N:18]1[C:13]([C@H:9]([CH2:8][SH:23])[NH2:16])=[O:20])[OH:19] |
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