9NS
(2S)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Find entries where: 9NS
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | (2S)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
Identifiers | (2S)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
Formula | C29 H30 N2 O8 |
Molecular Weight | 534.557 |
Type | NON-POLYMER |
Isomeric SMILES | C=CCN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O |
InChI | InChI=1S/C29H30N2O8/c1-2-13-31(16-19-6-3-4-8-23(19)28(34)30-15-21-7-5-14-37-21)17-20-9-11-24-27(26(20)29(35)36)38-18-22(39-24)10-12-25(32)33/h2-9,11,14,22H,1,10,12-13,15-18H2,(H,30,34)(H,32,33)(H,35,36)/t22-/m0/s1 |
InChIKey | ZHJGBUQEXSUEEP-QFIPXVFZSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 69 |
Chiral Atom Count | 1 |
Bond Count | 72 |
Aromatic Bond Count | 17 |
Related Resource References
Resource Name | Reference |
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PubChem | 71816179 |