| Properties | Image |
| MNX_ID | MNXM1121913 |
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| reference | chebi:159302 |
| formula | C14H28N6O5S |
| global charge | 0 |
| mol weight | 392.482 |
| InChIKey | JQHASVQBAKRJKD-GUBZILKMSA-N |
| InChI | InChI=1S/C14H28N6O5S/c1-26-6-4-9(13(24)25)19-12(23)10(7-21)20-11(22)8(15)3-2-5-18-14(16)17/h8-10,21H,2-7,15H2,1H3,(H,19,23)(H,20,22)(H,24,25)(H4,16,17,18)/t8-,9-,10-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H28N6O5S/c1-26-6-4-9(13(24)25)19-12(23)10(7-21)20-11(22)8(15)3-2-5-18-14(16)17/h8-10,21H,2-7,15H2,1H3,(H,19,23)(H,20,22)(H,24,25)(H4,16,17,18)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:26][CH2:6][CH2:4][C@@H:9]([C:13](=[O:24])[OH:25])[N:19]=[C:12]([C@H:10]([CH2:7][OH:21])[N:20]=[C:11]([C@H:8]([CH2:3][CH2:2][CH2:5][NH:18][C:14](=[NH:16])[NH2:17])[NH2:15])[OH:22])[OH:23] |
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