[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C(C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O5/c1-3-7-20(27)24-18-12-10-16(11-13-18)19(26)14-30-21(28)15(2)23-22(29)25-17-8-5-4-6-9-17/h4-6,8-13,15H,3,7,14H2,1-2H3,(H,24,27)(H2,23,25,29)/t15-/m0/s1