| Properties | Image |
| MNX_ID | MNXM1122743 |
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| reference | chebi:160138 |
| formula | C17H35N7O4S |
| global charge | 0 |
| mol weight | 433.579 |
| InChIKey | URBJRJKWSUFCKS-AVGNSLFASA-N |
| InChI | InChI=1S/C17H35N7O4S/c1-29-10-7-12(23-14(25)11(19)5-2-3-8-18)15(26)24-13(16(27)28)6-4-9-22-17(20)21/h11-13H,2-10,18-19H2,1H3,(H,23,25)(H,24,26)(H,27,28)(H4,20,21,22)/t11-,12-,13-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H35N7O4S/c1-29-10-7-12(23-14(25)11(19)5-2-3-8-18)15(26)24-13(16(27)28)6-4-9-22-17(20)21/h11-13H,2-10,18-19H2,1H3,(H,23,25)(H,24,26)(H,27,28)(H4,20,21,22)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:29][CH2:10][CH2:7][C@@H:12]([C:15](=[N:24][C@@H:13]([CH2:6][CH2:4][CH2:9][NH:22][C:17](=[NH:20])[NH2:21])[C:16](=[O:27])[OH:28])[OH:26])[N:23]=[C:14]([C@H:11]([CH2:5][CH2:2][CH2:3][CH2:8][NH2:18])[NH2:19])[OH:25] |
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