[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (3R)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (3R)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (3R)-3-(3-phenoxyphenyl)-3-ureido-propanoate CAS Name: (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate Traditional Name: (3R)-3-(3-phenoxyphenyl)-3-ureido-propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-2-11-23-19(25)14-28-20(26)13-18(24-21(22)27)15-7-6-10-17(12-15)29-16-8-4-3-5-9-16/h1,3-10,12,18H,11,13-14H2,(H,23,25)(H3,22,24,27)/t18-/m1/s1