tert-butyl (2S)-2-[[4-[(4-chlorophenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[4-[(4-chlorophenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[[4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]propionic acid tert-butyl ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN4O4/c1-10(17(26)27-18(2,3)4)22-15(24)13-14(21-9-20-13)16(25)23-12-7-5-11(19)6-8-12/h5-10H,1-4H3,(H,20,21)(H,22,24)(H,23,25)/t10-/m0/s1