methyl (2S)-2-(2-benzamidopent-4-enoylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(2-benzamidopent-4-enoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(2-benzamidopent-4-enoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[(2-benzamido-1-oxopent-4-enyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2-benzamidopent-4-enoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-benzamidopent-4-enoylamino)-3-phenyl-propionic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-3-10-18(23-20(25)17-13-8-5-9-14-17)21(26)24-19(22(27)28-2)15-16-11-6-4-7-12-16/h3-9,11-14,18-19H,1,10,15H2,2H3,(H,23,25)(H,24,26)/t18?,19-/m0/s1