| Properties | Image |
| MNX_ID | MNXM1123108 |
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| reference | chebi:160508 |
| formula | C17H34N6O4S |
| global charge | 0 |
| mol weight | 418.564 |
| InChIKey | WDTLNWHPIPCMMP-AVGNSLFASA-N |
| InChI | InChI=1S/C17H34N6O4S/c1-10(2)9-13(16(26)27)23-15(25)12(5-4-7-21-17(19)20)22-14(24)11(18)6-8-28-3/h10-13H,4-9,18H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)(H4,19,20,21)/t11-,12-,13-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H34N6O4S/c1-10(2)9-13(16(26)27)23-15(25)12(5-4-7-21-17(19)20)22-14(24)11(18)6-8-28-3/h10-13H,4-9,18H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)(H4,19,20,21)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:9][C@@H:13]([C:16](=[O:26])[OH:27])[N:23]=[C:15]([C@H:12]([CH2:5][CH2:4][CH2:7][NH:21][C:17](=[NH:19])[NH2:20])[N:22]=[C:14]([C@H:11]([CH2:6][CH2:8][S:28][CH3:3])[NH2:18])[OH:24])[OH:25] |
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