| Properties | Image |
|---|
| MNX_ID | MNXM744632 |
 |
| reference | biggM:argpromet |
| formula | C16H31N6O4S |
| global charge | 1 |
| mol weight | 403.529 |
| InChIKey | JJIBHAOBNIFUEL-UTUOFQBUSA-O |
| InChI | InChI=1S/C16H30N6O4S/c1-27-9-6-11(15(25)26)21-13(23)12-5-3-8-22(12)14(24)10(17)4-2-7-20-16(18)19/h10-12H,2-9,17H2,1H3,(H,21,23)(H,25,26)(H4,18,19,20)/p+1/t10-,11-,12+/m1/s1 |
| SMILES | CSCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H30N6O4S/c1-27-9-6-11(15(25)26)21-13(23)12-5-3-8-22(12)14(24)10(17)4-2-7-20-16(18)19/h10-12H,2-9,17H2,1H3,(H,21,23)(H,25,26)(H4,18,19,20)/t10-,11-,12+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][S:27][CH2:9][CH2:6][C@H:11]([C:15](=[O:25])[OH:26])[N:21]=[C:13]([C@@H:12]1[CH2:5][CH2:3][CH2:8][N:22]1[C:14]([C@@H:10]([CH2:4][CH2:2][CH2:7][NH:20][C:16](=[NH:18])[NH2:19])[NH2:17])=[O:24])[OH:23] |
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