methyl 2-[[2-[[(E)-2-acetamido-3-phenyl-prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[2-[[(E)-2-acetamido-3-phenyl-prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-[[(E)-2-acetamido-3-phenyl-prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[[(E)-2-acetamido-1-oxo-3-phenylprop-2-enyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[(E)-2-acetamido-3-phenylprop-2-enoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[[(E)-2-acetamido-3-phenyl-acryloyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C(=CC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C

InChI

InChI=1S/C22H31N3O5/c1-13(2)18(21(28)25-19(14(3)4)22(29)30-6)24-20(27)17(23-15(5)26)12-16-10-8-7-9-11-16/h7-14,18-19H,1-6H3,(H,23,26)(H,24,27)(H,25,28)/b17-12+