2-[[(E)-2-[(4-butoxyphenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[(E)-2-[(4-butoxyphenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-2-[[(4-butoxyphenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenyl-acryloyl]amino]-4-(methylthio)butyric acid Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C25H30N2O5S/c1-3-4-15-32-20-12-10-19(11-13-20)23(28)27-22(17-18-8-6-5-7-9-18)24(29)26-21(25(30)31)14-16-33-2/h5-13,17,21H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)/b22-17+