3-[4-[(furan-2-ylcarbonylamino)methyl]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(furan-2-ylcarbonylamino)methyl]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(furan-2-carbonylamino)methyl]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[[2-furanyl(oxo)methyl]amino]methyl]-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(furan-2-carbonylamino)methyl]-2-[(3-methyl-1-phenylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-furoylamino)methyl]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propionic acid Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)CNC(=O)C3=CC=CO3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)CNC(=O)C3=CC=CO3)CCC(=O)O

InChI

InChI=1S/C27H30N2O5/c1-18(2)15-23(21-7-4-3-5-8-21)29-26(32)22-16-19(10-11-20(22)12-13-25(30)31)17-28-27(33)24-9-6-14-34-24/h3-11,14,16,18,23H,12-13,15,17H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)