| Properties | Image |
|---|
| MNX_ID | MNXM744625 |
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| reference | biggM:arggluglu |
| formula | C16H27N6O8 |
| global charge | -1 |
| mol weight | 431.426 |
| InChIKey | PNQWAUXQDBIJDY-KXUCPTDWSA-M |
| InChI | InChI=1S/C16H28N6O8/c17-8(2-1-7-20-16(18)19)13(27)21-9(3-5-11(23)24)14(28)22-10(15(29)30)4-6-12(25)26/h8-10H,1-7,17H2,(H,21,27)(H,22,28)(H,23,24)(H,25,26)(H,29,30)(H4,18,19,20)/p-1/t8-,9+,10-/m1/s1 |
| SMILES | NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H28N6O8/c17-8(2-1-7-20-16(18)19)13(27)21-9(3-5-11(23)24)14(28)22-10(15(29)30)4-6-12(25)26/h8-10H,1-7,17H2,(H,21,27)(H,22,28)(H,23,24)(H,25,26)(H,29,30)(H4,18,19,20)/t8-,9+,10-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@H:8]([C:13](=[N:21][C@@H:9]([CH2:3][CH2:5][C:11](=[O:23])[OH:24])[C:14](=[N:22][C@H:10]([CH2:4][CH2:6][C:12](=[O:25])[OH:26])[C:15](=[O:29])[OH:30])[OH:28])[OH:27])[NH2:17])[CH2:7][NH:20][C:16](=[NH:18])[NH2:19] |
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