| Properties | Image |
| MNX_ID | MNXM1125109 |
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| reference | chebi:162519 |
| formula | C16H30N4O4S |
| global charge | 0 |
| mol weight | 374.507 |
| InChIKey | QCMYJBKTMIWZAP-AVGNSLFASA-N |
| InChI | InChI=1S/C16H30N4O4S/c1-25-10-7-12(19-14(21)11-6-4-9-18-11)15(22)20-13(16(23)24)5-2-3-8-17/h11-13,18H,2-10,17H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t11-,12-,13-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H30N4O4S/c1-25-10-7-12(19-14(21)11-6-4-9-18-11)15(22)20-13(16(23)24)5-2-3-8-17/h11-13,18H,2-10,17H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:25][CH2:10][CH2:7][C@@H:12]([C:15](=[N:20][C@@H:13]([CH2:5][CH2:2][CH2:3][CH2:8][NH2:17])[C:16](=[O:23])[OH:24])[OH:22])[N:19]=[C:14]([C@@H:11]1[CH2:6][CH2:4][CH2:9][NH:18]1)[OH:21] |
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