| Properties | Image |
|---|
| MNX_ID | MNXM1121785 |
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| reference | chebi:159174 |
| formula | C17H30N8O4S |
| global charge | 0 |
| mol weight | 442.546 |
| InChIKey | GITAWLWBTMJPKH-AVGNSLFASA-N |
| InChI | InChI=1S/C17H30N8O4S/c1-30-6-4-12(24-14(26)11(18)3-2-5-22-17(19)20)15(27)25-13(16(28)29)7-10-8-21-9-23-10/h8-9,11-13H,2-7,18H2,1H3,(H,21,23)(H,24,26)(H,25,27)(H,28,29)(H4,19,20,22)/t11-,12-,13-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H30N8O4S/c1-30-6-4-12(24-14(26)11(18)3-2-5-22-17(19)20)15(27)25-13(16(28)29)7-10-8-21-9-23-10/h8-9,11-13H,2-7,18H2,1H3,(H,21,23)(H,24,26)(H,25,27)(H,28,29)(H4,19,20,22)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:30][CH2:6][CH2:4][C@@H:12]([C:15](=[N:25][C@@H:13]([CH2:7][C:10]1=[CH:8][N:21]=[CH:9][NH:23]1)[C:16](=[O:28])[OH:29])[OH:27])[N:24]=[C:14]([C@H:11]([CH2:3][CH2:2][CH2:5][NH:22][C:17](=[NH:19])[NH2:20])[NH2:18])[OH:26] |
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