[2-(tert-butylamino)-2-oxidanylidene-ethyl] (3R)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (3R)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (3R)-3-(3-phenoxyphenyl)-3-ureido-propanoate CAS Name: (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate Traditional Name: (3R)-3-(3-phenoxyphenyl)-3-ureido-propionic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)CC(C1=CC(=CC=C1)OC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C[C@H](C1=CC(=CC=C1)OC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C22H27N3O5/c1-22(2,3)25-19(26)14-29-20(27)13-18(24-21(23)28)15-8-7-11-17(12-15)30-16-9-5-4-6-10-16/h4-12,18H,13-14H2,1-3H3,(H,25,26)(H3,23,24,28)/t18-/m1/s1