1ML
5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid
Find entries where: 1ML
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
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Name | 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid |
Identifiers | 5-[4-[(4-methoxyphenyl)carbonylamino]phenoxy]-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]benzoic acid |
Formula | C32 H36 N2 O6 |
Molecular Weight | 544.638 |
Type | NON-POLYMER |
Isomeric SMILES | CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C |
InChI | InChI=1S/C32H36N2O6/c1-20(2)34(31(36)23-7-5-21(3)6-8-23)29-18-17-27(19-28(29)32(37)38)40-26-15-11-24(12-16-26)33-30(35)22-9-13-25(39-4)14-10-22/h9-21,23H,5-8H2,1-4H3,(H,33,35)(H,37,38)/t21-,23- |
InChIKey | QTXXVFNPTKTUBW-AFARHQOCSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 76 |
Chiral Atom Count | 0 |
Bond Count | 79 |
Aromatic Bond Count | 18 |