(E)-3-[4-[[1-[[3-cyclopentyl-1-methyl-2-(1,3-thiazol-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-(1,3-thiazol-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-thiazol-2-yl-indole-6-carbonyl)amino]cyclobutanecarbonyl]amino]-2-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[1-[[[3-cyclopentyl-1-methyl-2-(2-thiazolyl)-6-indolyl]-oxomethyl]amino]cyclobutyl]-oxomethyl]amino]-2-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[1-[[3-cyclopentyl-1-methyl-2-(1,3-thiazol-2-yl)indole-6-carbonyl]amino]cyclobutanecarbonyl]amino]-2-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-thiazol-2-yl-indole-6-carbonyl)amino]cyclobutanecarbonyl]amino]-2-ethoxy-phenyl]acrylic acid Formula: C34H36N4O5S MolecularWeight: 612.73844

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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=NC=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=NC=CS5)C6CCCC6)/C=C/C(=O)O

InChI

InChI=1S/C34H36N4O5S/c1-3-43-27-20-24(12-9-21(27)11-14-28(39)40)36-33(42)34(15-6-16-34)37-31(41)23-10-13-25-26(19-23)38(2)30(32-35-17-18-44-32)29(25)22-7-4-5-8-22/h9-14,17-20,22H,3-8,15-16H2,1-2H3,(H,36,42)(H,37,41)(H,39,40)/b14-11+