methyl (2S)-2-[[4-oxidanylidene-4-(phenethylamino)butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-oxidanylidene-4-(phenethylamino)butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-oxo-4-(phenethylamino)butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1,4-dioxo-4-(phenethylamino)butyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-oxo-4-(phenethylamino)butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-keto-4-(phenethylamino)butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4/c1-28-22(27)19(16-18-10-6-3-7-11-18)24-21(26)13-12-20(25)23-15-14-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1