3-[[(2S)-2-[2-[3-(4-fluorophenyl)-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-2-[2-[3-(4-fluorophenyl)-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-[[2-[3-(4-fluorophenyl)-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl]acetyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-[[2-[3-(4-fluorophenyl)-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl]-1-oxoethyl]amino]-4-(methylthio)-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-[[2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-4-methylsulfanylbutanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-[[2-[3-(4-fluorophenyl)-7-keto-5-methyl-furo[3,2-g]chromen-6-yl]acetyl]amino]-4-(methylthio)butanoyl]amino]propionic acid Formula: C28H27FN2O7S MolecularWeight: 554.586583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=C(C=C4)F)CC(=O)NC(CCSC)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=C(C=C4)F)CC(=O)N[C@@H](CCSC)C(=O)NCCC(=O)O

InChI

InChI=1S/C28H27FN2O7S/c1-15-18-11-20-21(16-3-5-17(29)6-4-16)14-37-23(20)13-24(18)38-28(36)19(15)12-25(32)31-22(8-10-39-2)27(35)30-9-7-26(33)34/h3-6,11,13-14,22H,7-10,12H2,1-2H3,(H,30,35)(H,31,32)(H,33,34)/t22-/m0/s1