| Properties | Image |
|---|
| MNX_ID | MNXM1193425 |
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| reference | envipathM:...82a9ac739c2f |
| formula | C23H29N5O7 |
| global charge | -2 |
| mol weight | 487.513 |
| InChIKey | BIRYEUIMRWDRLK-UHFFFAOYSA-L |
| InChI | InChI=1S/C23H31N5O7/c1-3-4-5-19(31)28(20(23(34)35)14(2)13-29)12-16-8-6-15(7-9-16)10-17(11-18(30)22(32)33)21-24-26-27-25-21/h6-9,14,17,20,29H,3-5,10-13H2,1-2H3,(H,32,33)(H,34,35)(H,24,25,26,27)/p-2 |
| SMILES | CCCCC(=O)N(CC1=CC=C(CC(CC(=O)C(=O)[O-])C2=NNN=N2)C=C1)C(C(=O)[O-])C(C)CO |
MNX internals
| InChI (mnx) | InChI=1/C23H31N5O7/c1-3-4-5-19(31)28(20(23(34)35)14(2)13-29)12-16-8-6-15(7-9-16)10-17(11-18(30)22(32)33)21-24-26-27-25-21/h6-9,14,17,20,29H,3-5,10-13H2,1-2H3,(H,32,33)(H,34,35)(H,24,25,26,27)/t14?,17?,20? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][C:19]([N:28]([CH2:12][C:16]1=[CH:9][CH:7]=[C:15]([CH2:10][CH:17]([CH2:11][C:18]([C:22]([OH:32])=[O:33])=[O:30])[C:21]2=[N:24][NH:26][N:27]=[N:25]2)[CH:6]=[CH:8]1)[CH:20]([CH:14]([CH3:2])[CH2:13][OH:29])[C:23](=[O:34])[OH:35])=[O:31] |
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