(E)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-thiophen-2-yl-indol-6-yl)carbonylamino]cyclobutyl]carbonylamino]-2-ethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-thiophen-2-yl-indol-6-yl)carbonylamino]cyclobutyl]carbonylamino]-2-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[1-[[3-cyclopentyl-1-methyl-2-(2-thienyl)indole-6-carbonyl]amino]cyclobutanecarbonyl]amino]-2-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[1-[[(3-cyclopentyl-1-methyl-2-thiophen-2-yl-6-indolyl)-oxomethyl]amino]cyclobutyl]-oxomethyl]amino]-2-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-thiophen-2-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]-2-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[1-[[3-cyclopentyl-1-methyl-2-(2-thienyl)indole-6-carbonyl]amino]cyclobutanecarbonyl]amino]-2-ethoxy-phenyl]acrylic acid Formula: C35H37N3O5S MolecularWeight: 611.75038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)NC(=O)C2(CCC2)NC(=O)C3=CC4=C(C=C3)C(=C(N4C)C5=CC=CS5)C6CCCC6)C=CC(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)NC(=O)C2(CCC2)NC(=O)C3=CC4=C(C=C3)C(=C(N4C)C5=CC=CS5)C6CCCC6)/C=C/C(=O)O

InChI

InChI=1S/C35H37N3O5S/c1-3-43-28-21-25(14-11-22(28)13-16-30(39)40)36-34(42)35(17-7-18-35)37-33(41)24-12-15-26-27(20-24)38(2)32(29-10-6-19-44-29)31(26)23-8-4-5-9-23/h6,10-16,19-21,23H,3-5,7-9,17-18H2,1-2H3,(H,36,42)(H,37,41)(H,39,40)/b16-13+