ethyl (2R,3S)-2-[[4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: ethyl (2R,3S)-2-[[4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-3-phenyl-propanoate Openeye Name: ethyl (2R,3S)-3-hydroxy-2-[[4-(4-methylanilino)-4-oxo-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2R,3S)-3-hydroxy-2-[[4-(4-methylanilino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-hydroxy-2-[[4-(4-methylanilino)-4-oxobutanoyl]amino]-3-phenylpropanoate Traditional Name: (2R,3S)-3-hydroxy-2-[[4-keto-4-(p-toluidino)butanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C22H26N2O5/c1-3-29-22(28)20(21(27)16-7-5-4-6-8-16)24-19(26)14-13-18(25)23-17-11-9-15(2)10-12-17/h4-12,20-21,27H,3,13-14H2,1-2H3,(H,23,25)(H,24,26)/t20-,21+/m1/s1