[(2R)-1-oxidanylidene-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 3-(aminocarbonylamino)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 3-(aminocarbonylamino)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid [(1R)-2-keto-1-methyl-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)NC(=O)N

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)NC(=O)N

InChI

InChI=1S/C21H25N3O4/c1-3-8-18(15-9-5-4-6-10-15)24-19(25)14(2)28-20(26)16-11-7-12-17(13-16)23-21(22)27/h4-7,9-14,18H,3,8H2,1-2H3,(H,24,25)(H3,22,23,27)/t14-,18+/m1/s1