[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CCNC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)CCNC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C21H31N3O5/c1-13(2)23-20(28)24-18(26)14(3)29-17(25)11-12-22-19(27)15-7-9-16(10-8-15)21(4,5)6/h7-10,13-14H,11-12H2,1-6H3,(H,22,27)(H2,23,24,26,28)/t14-/m0/s1