(3S)-3-[3-(furan-2-ylcarbonylamino)propanoylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: (3S)-3-[3-(furan-2-ylcarbonylamino)propanoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: (3S)-3-[3-(furan-2-carbonylamino)propanoylamino]-3-(p-tolyl)propanoic acid CAS Name: (3S)-3-[[3-[[2-furanyl(oxo)methyl]amino]-1-oxopropyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: (3S)-3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: (3S)-3-[3-(2-furoylamino)propanoylamino]-3-(p-tolyl)propionic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCNC(=O)C2=CC=CO2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)CCNC(=O)C2=CC=CO2

InChI

InChI=1S/C18H20N2O5/c1-12-4-6-13(7-5-12)14(11-17(22)23)20-16(21)8-9-19-18(24)15-3-2-10-25-15/h2-7,10,14H,8-9,11H2,1H3,(H,19,24)(H,20,21)(H,22,23)/t14-/m0/s1