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

Systemtic Name: methyl (2S)-2-[[4-oxidanylidene-4-(prop-2-enylamino)butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(allylamino)-4-oxo-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1,4-dioxo-4-(prop-2-enylamino)butyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-oxo-4-(prop-2-enylamino)butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(allylamino)-4-keto-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC(=O)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-3-11-18-15(20)9-10-16(21)19-14(17(22)23-2)12-13-7-5-4-6-8-13/h3-8,14H,1,9-12H2,2H3,(H,18,20)(H,19,21)/t14-/m0/s1