(4-tert-butyl-2,6-dimethyl-phenyl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C(CC2=CC=CC=C2)NC(=O)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N)C)C(C)(C)C

InChI

InChI=1S/C23H30N2O3/c1-15-11-18(23(3,4)5)12-16(2)19(15)14-28-21(26)20(25-22(24)27)13-17-9-7-6-8-10-17/h6-12,20H,13-14H2,1-5H3,(H3,24,25,27)/t20-/m0/s1