methyl (2S)-2-(2-benzamidopent-4-enoylamino)-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-(2-benzamidopent-4-enoylamino)-3-methyl-butanoate Openeye Name: methyl (2S)-2-(2-benzamidopent-4-enoylamino)-3-methyl-butanoate CAS Name: (2S)-2-[(2-benzamido-1-oxopent-4-enyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2-benzamidopent-4-enoylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-benzamidopent-4-enoylamino)-3-methyl-butyric acid methyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C(CC=C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H24N2O4/c1-5-9-14(19-16(21)13-10-7-6-8-11-13)17(22)20-15(12(2)3)18(23)24-4/h5-8,10-12,14-15H,1,9H2,2-4H3,(H,19,21)(H,20,22)/t14?,15-/m0/s1