2-[3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-[2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]carbamoylamino]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-[2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]carbamoylamino]phenyl]sulfanylethanoic acid Openeye Name: 2-[3-[[2-(2-benzoyl-N-(2-tert-butoxy-2-oxo-ethyl)anilino)-2-oxo-ethyl]carbamoylamino]phenyl]sulfanylacetic acid CAS Name: 2-[[3-[[[[2-(2-benzoyl-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino)-2-oxoethyl]amino]-oxomethyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[3-[[2-(2-benzoyl-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino)-2-oxoethyl]carbamoylamino]phenyl]sulfanylacetic acid Traditional Name: 2-[[3-[[2-(2-benzoyl-N-(2-tert-butoxy-2-keto-ethyl)anilino)-2-keto-ethyl]carbamoylamino]phenyl]thio]acetic acid Formula: C30H31N3O7S MolecularWeight: 577.64804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C1=CC=CC=C1C(=O)C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC(=CC=C3)SCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CN(C1=CC=CC=C1C(=O)C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC(=CC=C3)SCC(=O)O

InChI

InChI=1S/C30H31N3O7S/c1-30(2,3)40-27(37)18-33(24-15-8-7-14-23(24)28(38)20-10-5-4-6-11-20)25(34)17-31-29(39)32-21-12-9-13-22(16-21)41-19-26(35)36/h4-16H,17-19H2,1-3H3,(H,35,36)(H2,31,32,39)