[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (3S)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (3S)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (3S)-3-(3-phenoxyphenyl)-3-ureido-propanoate CAS Name: (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate Traditional Name: (3S)-3-(3-phenoxyphenyl)-3-ureido-propionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CC(=O)OCC(=O)C3=CC=CN3)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)[C@H](CC(=O)OCC(=O)C3=CC=CN3)NC(=O)N

InChI

InChI=1S/C22H21N3O5/c23-22(28)25-19(13-21(27)29-14-20(26)18-10-5-11-24-18)15-6-4-9-17(12-15)30-16-7-2-1-3-8-16/h1-12,19,24H,13-14H2,(H3,23,25,28)/t19-/m0/s1