| Properties | Image |
| MNX_ID | MNXM1121207 |
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| reference | chebi:158594 |
| formula | C17H34N4O4S |
| global charge | 0 |
| mol weight | 390.55 |
| InChIKey | WVUDHMBJNBWZBU-XUXIUFHCSA-N |
| InChI | InChI=1S/C17H34N4O4S/c1-4-11(2)14(19)16(23)20-12(7-5-6-9-18)15(22)21-13(17(24)25)8-10-26-3/h11-14H,4-10,18-19H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-,14-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H34N4O4S/c1-4-11(2)14(19)16(23)20-12(7-5-6-9-18)15(22)21-13(17(24)25)8-10-26-3/h11-14H,4-10,18-19H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][C@H:11]([CH3:2])[C@@H:14]([C:16](=[N:20][C@@H:12]([CH2:7][CH2:5][CH2:6][CH2:9][NH2:18])[C:15](=[N:21][C@@H:13]([CH2:8][CH2:10][S:26][CH3:3])[C:17](=[O:24])[OH:25])[OH:22])[OH:23])[NH2:19] |
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