[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)[C@H](C)NC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C18H23N3O5/c1-3-11-19-18(25)21-16(23)12-26-17(24)13(2)20-15(22)10-9-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)(H2,19,21,23,25)/b10-9+/t13-/m0/s1