| Properties | Image |
|---|
| MNX_ID | MNXM744735 |
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| reference | biggM:hisargser |
| formula | C15H27N8O5 |
| global charge | 1 |
| mol weight | 399.432 |
| InChIKey | ZPVJJPAIUZLSNE-OUAUKWLOSA-O |
| InChI | InChI=1S/C15H26N8O5/c16-9(4-8-5-19-7-21-8)12(25)22-10(2-1-3-20-15(17)18)13(26)23-11(6-24)14(27)28/h5,7,9-11,24H,1-4,6,16H2,(H,19,21)(H,22,25)(H,23,26)(H,27,28)(H4,17,18,20)/p+1/t9-,10+,11-/m1/s1 |
| SMILES | NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](N)CC1=CNC=N1)C(=O)N[C@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H26N8O5/c16-9(4-8-5-19-7-21-8)12(25)22-10(2-1-3-20-15(17)18)13(26)23-11(6-24)14(27)28/h5,7,9-11,24H,1-4,6,16H2,(H,19,21)(H,22,25)(H,23,26)(H,27,28)(H4,17,18,20)/t9-,10+,11-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:10]([C:13](=[N:23][C@H:11]([CH2:6][OH:24])[C:14](=[O:27])[OH:28])[OH:26])[N:22]=[C:12]([C@@H:9]([CH2:4][C:8]1=[CH:5][N:19]=[CH:7][NH:21]1)[NH2:16])[OH:25])[CH2:3][NH:20][C:15](=[NH:17])[NH2:18] |
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