| Properties | Image |
|---|
| MNX_ID | MNXM1188673 |
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| reference | envipathM:...8284563bfdeb |
| formula | C24H28N5O8 |
| global charge | -1 |
| mol weight | 514.515 |
| InChIKey | XCBPKPMRVRWTBK-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H29N5O8/c1-12(2)20(24(36)37)29(18(33)8-7-14(31)11-30)10-13-9-17(32)19(22(35)21(13)34)15-5-3-4-6-16(15)23-25-27-28-26-23/h3-6,9,12,14,20,30-32,34-35H,7-8,10-11H2,1-2H3,(H,36,37)(H,25,26,27,28)/p-1 |
| SMILES | CC(C)C(C(=O)[O-])N(CC1=C(O)C(O)=C(C2=CC=CC=C2C2=NNN=N2)C(O)=C1)C(=O)CCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C24H29N5O8/c1-12(2)20(24(36)37)29(18(33)8-7-14(31)11-30)10-13-9-17(32)19(22(35)21(13)34)15-5-3-4-6-16(15)23-25-27-28-26-23/h3-6,9,12,14,20,30-32,34-35H,7-8,10-11H2,1-2H3,(H,36,37)(H,25,26,27,28)/t14?,20? |
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| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[CH:20]([C:24](=[O:36])[OH:37])[N:29]([CH2:10][C:13]1=[CH:9][C:17]([OH:32])=[C:19]([C:15]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:16]2[C:23]2=[N:25][NH:27][N:28]=[N:26]2)[C:22]([OH:35])=[C:21]1[OH:34])[C:18]([CH2:8][CH2:7][CH:14]([CH2:11][OH:30])[OH:31])=[O:33] |
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