| Properties | Image |
|---|
| MNX_ID | MNXM148206 |
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| reference | metacycM:CPD-17166 |
| formula | C17H27N8O5 |
| global charge | 1 |
| mol weight | 423.454 |
| InChIKey | WWCNUHLVSPMIOL-RWFKXLOKSA-O |
| InChI | InChI=1S/C17H26N8O5/c1-8(4-6-22-16(20)21)12(19)14(26)23-9-2-3-11(30-13(9)15(27)28)25-7-5-10(18)24-17(25)29/h2-3,5,7-9,11-13H,4,6,19H2,1H3,(H,23,26)(H,27,28)(H2,18,24,29)(H4,20,21,22)/p+1/t8?,9-,11+,12-,13-/m0/s1 |
| SMILES | CC(CCNC(N)=[NH2+])[C@H]([NH3+])C(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C17H26N8O5/c1-8(4-6-22-16(20)21)12(19)14(26)23-9-2-3-11(30-13(9)15(27)28)25-7-5-10(18)24-17(25)29/h2-3,5,7-9,11-13H,4,6,19H2,1H3,(H,23,26)(H,27,28)(H2,18,24,29)(H4,20,21,22)/t8?,9-,11+,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH2:4][CH2:6][NH:22][C:16](=[NH:20])[NH2:21])[C@@H:12]([C:14](=[N:23][C@H:9]1[CH:2]=[CH:3][C@H:11]([N:25]2[CH:7]=[CH:5][C:10](=[NH:18])[N:24]=[C:17]2[OH:29])[O:30][C@@H:13]1[C:15](=[O:27])[OH:28])[OH:26])[NH2:19] |
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