| Properties | Image |
|---|
| MNX_ID | MNXM744760 |
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| reference | biggM:ileserarg |
| formula | C15H31N6O5 |
| global charge | 1 |
| mol weight | 375.45 |
| InChIKey | JHNJNTMTZHEDLJ-HUAZRZQGSA-O |
| InChI | InChI=1S/C15H30N6O5/c1-3-8(2)11(16)13(24)21-10(7-22)12(23)20-9(14(25)26)5-4-6-19-15(17)18/h8-11,22H,3-7,16H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)(H4,17,18,19)/p+1/t8?,9-,10+,11-/m1/s1 |
| SMILES | CCC(C)[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H30N6O5/c1-3-8(2)11(16)13(24)21-10(7-22)12(23)20-9(14(25)26)5-4-6-19-15(17)18/h8-11,22H,3-7,16H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)(H4,17,18,19)/t8?,9-,10+,11-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH:8]([CH3:2])[C@H:11]([C:13](=[N:21][C@@H:10]([CH2:7][OH:22])[C:12](=[N:20][C@H:9]([CH2:5][CH2:4][CH2:6][NH:19][C:15](=[NH:17])[NH2:18])[C:14](=[O:25])[OH:26])[OH:23])[OH:24])[NH2:16] |
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