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

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] (3S)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] (3S)-3-(3-phenoxyphenyl)-3-ureido-propanoate CAS Name: (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate Traditional Name: (3S)-3-(3-phenoxyphenyl)-3-ureido-propionic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)CC(C2=CC(=CC=C2)OC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C[C@@H](C2=CC(=CC=C2)OC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C23H27N3O5/c24-23(29)26-20(14-22(28)30-15-21(27)25-17-8-4-5-9-17)16-7-6-12-19(13-16)31-18-10-2-1-3-11-18/h1-3,6-7,10-13,17,20H,4-5,8-9,14-15H2,(H,25,27)(H3,24,26,29)/t20-/m0/s1