| Properties | Image |
|---|
| MNX_ID | MNXM10334 |
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| reference | metacycM:CPD-17119 |
| formula | C25H29N8O9 |
| global charge | -3 |
| mol weight | 585.554 |
| InChIKey | VNEFZDDORGCJSD-JYJNAYRXSA-K |
| InChI | InChI=1S/C25H32N8O9/c1-33-14(11-28-20-19(33)22(38)32-25(26)31-20)10-27-13-4-2-12(3-5-13)21(37)30-16(24(41)42)6-8-17(34)29-15(23(39)40)7-9-18(35)36/h2-5,14-16,27H,6-11H2,1H3,(H,29,34)(H,30,37)(H,35,36)(H,39,40)(H,41,42)(H4,26,28,31,32,38)/p-3/t14-,15-,16-/m0/s1 |
| SMILES | CN1C2=C(N=C(N)NC2=O)NC[C@@H]1CNC1=CC=C(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H32N8O9/c1-33-14(11-28-20-19(33)22(38)32-25(26)31-20)10-27-13-4-2-12(3-5-13)21(37)30-16(24(41)42)6-8-17(34)29-15(23(39)40)7-9-18(35)36/h2-5,14-16,27H,6-11H2,1H3,(H,29,34)(H,30,37)(H,35,36)(H,39,40)(H,41,42)(H4,26,28,31,32,38)/t14-,15-,16-/m0/s1 |
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| SMILES (mnx) | [CH3:1][N:33]1[C@@H:14]([CH2:10][NH:27][C:13]2=[CH:5][CH:3]=[C:12]([C:21]([NH:30][C@@H:16]([CH2:6][CH2:8][C:17](=[N:29][C@@H:15]([CH2:7][CH2:9][C:18](=[O:35])[OH:36])[C:23](=[O:39])[OH:40])[OH:34])[C:24](=[O:41])[OH:42])=[O:37])[CH:2]=[CH:4]2)[CH2:11][NH:28][C:20]2=[C:19]1[C:22]([OH:38])=[N:32][C:25](=[NH:26])[NH:31]2 |
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