2-[[2-bromanyl-1-(butanoylamino)-3-methyl-cyclopentyl]carbonylamino]-3-(5-phenylthiophen-2-yl)propanoic acid

Systemtic Name: 2-[[2-bromanyl-1-(butanoylamino)-3-methyl-cyclopentyl]carbonylamino]-3-(5-phenylthiophen-2-yl)propanoic acid Openeye Name: 2-[[2-bromo-1-(butanoylamino)-3-methyl-cyclopentanecarbonyl]amino]-3-(5-phenyl-2-thienyl)propanoic acid CAS Name: 2-[[[2-bromo-3-methyl-1-(1-oxobutylamino)cyclopentyl]-oxomethyl]amino]-3-(5-phenyl-2-thiophenyl)propanoic acid IUPAC Name: 2-[[2-bromo-1-(butanoylamino)-3-methylcyclopentanecarbonyl]amino]-3-(5-phenylthiophen-2-yl)propanoic acid Traditional Name: 2-[(2-bromo-1-butyramido-3-methyl-cyclopentanecarbonyl)amino]-3-(5-phenyl-2-thienyl)propionic acid Formula: C24H29BrN2O4S MolecularWeight: 521.46706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1(CCC(C1Br)C)C(=O)NC(CC2=CC=C(S2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC(=O)NC1(CCC(C1Br)C)C(=O)NC(CC2=CC=C(S2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H29BrN2O4S/c1-3-7-20(28)27-24(13-12-15(2)21(24)25)23(31)26-18(22(29)30)14-17-10-11-19(32-17)16-8-5-4-6-9-16/h4-6,8-11,15,18,21H,3,7,12-14H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)