| Properties | Image |
| MNX_ID | MNXM1122673 |
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| reference | chebi:160067 |
| formula | C15H30N4O4S |
| global charge | 0 |
| mol weight | 362.496 |
| InChIKey | PINHPJWGVBKQII-SRVKXCTJSA-N |
| InChI | InChI=1S/C15H30N4O4S/c1-9(2)7-11(14(21)19-12(8-24)15(22)23)18-13(20)10(17)5-3-4-6-16/h9-12,24H,3-8,16-17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t10-,11-,12-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H30N4O4S/c1-9(2)7-11(14(21)19-12(8-24)15(22)23)18-13(20)10(17)5-3-4-6-16/h9-12,24H,3-8,16-17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[CH2:7][C@@H:11]([C:14](=[N:19][C@@H:12]([CH2:8][SH:24])[C:15](=[O:22])[OH:23])[OH:21])[N:18]=[C:13]([C@H:10]([CH2:5][CH2:3][CH2:4][CH2:6][NH2:16])[NH2:17])[OH:20] |
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