| Properties | Image |
|---|
| MNX_ID | MNXM732535 |
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| reference | chebi:81396 |
| formula | C16H31N6O7P |
| global charge | 0 |
| mol weight | 450.433 |
| InChIKey | NPKRTHUUAUNSDZ-IQGGEEFSSA-N |
| InChI | InChI=1S/C16H31N6O7P/c1-9(2)12(17)14(24)21-10(5-3-7-20-16(18)19)13(23)22-11(15(25)26)6-4-8-30(27,28)29/h4,6,9-12H,3,5,7-8,17H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)(H2,27,28,29)/b6-4-/t10-,11-,12?/m0/s1 |
| SMILES | CC(C)C(N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](/C=C\CP(=O)(O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H31N6O7P/c1-9(2)12(17)14(24)21-10(5-3-7-20-16(18)19)13(23)22-11(15(25)26)6-4-8-30(27,28)29/h4,6,9-12H,3,5,7-8,17H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)(H2,27,28,29)/b6-4-/t10-,11-,12?/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[CH:12]([C:14](=[N:21][C@@H:10]([CH2:5][CH2:3][CH2:7][NH:20][C:16](=[NH:18])[NH2:19])[C:13](=[N:22][C@@H:11](/[CH:6]=[CH:4]\[CH2:8][P:30]([OH:27])([OH:28])=[O:29])[C:15](=[O:25])[OH:26])[OH:23])[OH:24])[NH2:17] |
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