| Properties | Image |
| MNX_ID | MNXM1122281 |
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| reference | chebi:159673 |
| formula | C12H24N4O4S |
| global charge | 0 |
| mol weight | 320.415 |
| InChIKey | VHFFQUSNFFIZBT-CIUDSAMLSA-N |
| InChI | InChI=1S/C12H24N4O4S/c1-7(10(17)16-9(6-21)12(19)20)15-11(18)8(14)4-2-3-5-13/h7-9,21H,2-6,13-14H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t7-,8-,9-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H24N4O4S/c1-7(10(17)16-9(6-21)12(19)20)15-11(18)8(14)4-2-3-5-13/h7-9,21H,2-6,13-14H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:7]([C:10](=[N:16][C@@H:9]([CH2:6][SH:21])[C:12](=[O:19])[OH:20])[OH:17])[N:15]=[C:11]([C@H:8]([CH2:4][CH2:2][CH2:3][CH2:5][NH2:13])[NH2:14])[OH:18] |
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