| Properties | Image |
|---|
| MNX_ID | MNXM168264 |
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| reference | sabiorkM:24598 |
| formula | C20H30N4O6 |
| global charge | 0 |
| mol weight | 422.482 |
| InChIKey | ZJSZPXISKMDJKQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H30N4O6/c21-11-5-4-8-14(22)18(27)24-16(12-13-6-2-1-3-7-13)19(28)23-15(20(29)30)9-10-17(25)26/h1-3,6-7,14-16H,4-5,8-12,21-22H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30) |
| SMILES | NCCCCC(N)C(O)=NC(CC1=CC=CC=C1)C(O)=NC(CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H30N4O6/c21-11-5-4-8-14(22)18(27)24-16(12-13-6-2-1-3-7-13)19(28)23-15(20(29)30)9-10-17(25)26/h1-3,6-7,14-16H,4-5,8-12,21-22H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14?,15?,16? |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:13]([CH2:12][CH:16]([C:19](=[N:23][CH:15]([CH2:9][CH2:10][C:17](=[O:25])[OH:26])[C:20](=[O:29])[OH:30])[OH:28])[N:24]=[C:18]([CH:14]([CH2:8][CH2:4][CH2:5][CH2:11][NH2:21])[NH2:22])[OH:27])[CH:7]=[CH:3]1 |
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