(2S)-2-[[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[5-methyl-4-[(4-phenylphenoxy)methyl]-2-furanyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[5-methyl-4-[(4-phenylphenoxy)methyl]-2-furoyl]amino]-4-(methylthio)butyric acid Formula: C24H25NO5S MolecularWeight: 439.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)NC(CCSC)C(=O)O)COC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(O1)C(=O)N[C@@H](CCSC)C(=O)O)COC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H25NO5S/c1-16-19(14-22(30-16)23(26)25-21(24(27)28)12-13-31-2)15-29-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-11,14,21H,12-13,15H2,1-2H3,(H,25,26)(H,27,28)/t21-/m0/s1