| Properties | Image |
|---|
| MNX_ID | MNXM1121620 |
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| reference | chebi:159008 |
| formula | C15H26N8O4S |
| global charge | 0 |
| mol weight | 414.492 |
| InChIKey | PZVMBNFTBWQWQL-DCAQKATOSA-N |
| InChI | InChI=1S/C15H26N8O4S/c16-9(2-1-3-20-15(17)18)12(24)22-10(4-8-5-19-7-21-8)13(25)23-11(6-28)14(26)27/h5,7,9-11,28H,1-4,6,16H2,(H,19,21)(H,22,24)(H,23,25)(H,26,27)(H4,17,18,20)/t9-,10-,11-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H26N8O4S/c16-9(2-1-3-20-15(17)18)12(24)22-10(4-8-5-19-7-21-8)13(25)23-11(6-28)14(26)27/h5,7,9-11,28H,1-4,6,16H2,(H,19,21)(H,22,24)(H,23,25)(H,26,27)(H4,17,18,20)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:9]([C:12](=[N:22][C@@H:10]([CH2:4][C:8]1=[CH:5][N:19]=[CH:7][NH:21]1)[C:13](=[N:23][C@@H:11]([CH2:6][SH:28])[C:14](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:16])[CH2:3][NH:20][C:15](=[NH:17])[NH2:18] |
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