[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] (2S)-2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] (2S)-2-benzamido-3-phenyl-propanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] (2S)-2-benzamido-3-phenyl-propanoate CAS Name: (2S)-2-benzamido-3-phenylpropanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (2S)-2-benzamido-3-phenylpropanoate Traditional Name: (2S)-2-benzamido-3-phenyl-propionic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-2-13-23-22(29)25-19(26)15-30-21(28)18(14-16-9-5-3-6-10-16)24-20(27)17-11-7-4-8-12-17/h2-12,18H,1,13-15H2,(H,24,27)(H2,23,25,26,29)/t18-/m0/s1