| Properties | Image |
|---|
| MNX_ID | MNXM744960 |
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| reference | biggM:tyrargser |
| formula | C18H29N6O6 |
| global charge | 1 |
| mol weight | 425.466 |
| InChIKey | IIJWXEUNETVJPV-HZSPNIEDSA-O |
| InChI | InChI=1S/C18H28N6O6/c19-12(8-10-3-5-11(26)6-4-10)15(27)23-13(2-1-7-22-18(20)21)16(28)24-14(9-25)17(29)30/h3-6,12-14,25-26H,1-2,7-9,19H2,(H,23,27)(H,24,28)(H,29,30)(H4,20,21,22)/p+1/t12-,13+,14-/m1/s1 |
| SMILES | NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H28N6O6/c19-12(8-10-3-5-11(26)6-4-10)15(27)23-13(2-1-7-22-18(20)21)16(28)24-14(9-25)17(29)30/h3-6,12-14,25-26H,1-2,7-9,19H2,(H,23,27)(H,24,28)(H,29,30)(H4,20,21,22)/t12-,13+,14-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:13]([C:16](=[N:24][C@H:14]([CH2:9][OH:25])[C:17](=[O:29])[OH:30])[OH:28])[N:23]=[C:15]([C@@H:12]([CH2:8][C:10]1=[CH:4][CH:6]=[C:11]([OH:26])[CH:5]=[CH:3]1)[NH2:19])[OH:27])[CH2:7][NH:22][C:18](=[NH:20])[NH2:21] |
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