[2-(cyclopropylamino)-2-oxidanylidene-ethyl] (3S)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (3S)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (3S)-3-(3-phenoxyphenyl)-3-ureido-propanoate CAS Name: (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate Traditional Name: (3S)-3-(3-phenoxyphenyl)-3-ureido-propionic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)CC(C2=CC(=CC=C2)OC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1CC1NC(=O)COC(=O)C[C@@H](C2=CC(=CC=C2)OC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C21H23N3O5/c22-21(27)24-18(12-20(26)28-13-19(25)23-15-9-10-15)14-5-4-8-17(11-14)29-16-6-2-1-3-7-16/h1-8,11,15,18H,9-10,12-13H2,(H,23,25)(H3,22,24,27)/t18-/m0/s1