| Properties | Image |
| MNX_ID | MNXM1122608 |
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| reference | chebi:160002 |
| formula | C18H33N7O4 |
| global charge | 0 |
| mol weight | 411.507 |
| InChIKey | FGMHXLULNHTPID-KKUMJFAQSA-N |
| InChI | InChI=1S/C18H33N7O4/c19-7-3-1-5-13(21)16(26)25-15(9-12-10-22-11-23-12)17(27)24-14(18(28)29)6-2-4-8-20/h10-11,13-15H,1-9,19-21H2,(H,22,23)(H,24,27)(H,25,26)(H,28,29)/t13-,14-,15-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H33N7O4/c19-7-3-1-5-13(21)16(26)25-15(9-12-10-22-11-23-12)17(27)24-14(18(28)29)6-2-4-8-20/h10-11,13-15H,1-9,19-21H2,(H,22,23)(H,24,27)(H,25,26)(H,28,29)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:3][CH2:7][NH2:19])[CH2:5][C@@H:13]([C:16](=[N:25][C@@H:15]([CH2:9][C:12]1=[CH:10][N:22]=[CH:11][NH:23]1)[C:17](=[N:24][C@@H:14]([CH2:6][CH2:2][CH2:4][CH2:8][NH2:20])[C:18](=[O:28])[OH:29])[OH:27])[OH:26])[NH2:21] |
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