(2S)-3-methyl-2-[[4-[4-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]-1-benzofuran-2-yl]carbonylamino]phenyl]phenyl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[4-[4-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]-1-benzofuran-2-yl]carbonylamino]phenyl]phenyl]sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[4-[4-[[3-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzofuran-2-carbonyl]amino]phenyl]phenyl]sulfonylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[4-[4-[[[3-methyl-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-2-benzofuranyl]-oxomethyl]amino]phenyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[4-[4-[[3-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1-benzofuran-2-carbonyl]amino]phenyl]phenyl]sulfonylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[4-[4-[[3-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzofuran-2-carbonyl]amino]phenyl]phenyl]sulfonylamino]butyric acid Formula: C29H26F3N3O7S MolecularWeight: 617.59285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC(=C12)NC(=O)C(F)(F)F)C(=O)NC3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=CC=CC(=C12)NC(=O)C(F)(F)F)C(=O)NC3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C29H26F3N3O7S/c1-15(2)24(27(37)38)35-43(40,41)20-13-9-18(10-14-20)17-7-11-19(12-8-17)33-26(36)25-16(3)23-21(5-4-6-22(23)42-25)34-28(39)29(30,31)32/h4-15,24,35H,1-3H3,(H,33,36)(H,34,39)(H,37,38)/t24-/m0/s1