N-[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-(tert-butylsulfonylmethyl)-3-phenyl-propanamide

Systemtic Name: N-[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-(tert-butylsulfonylmethyl)-3-phenyl-propanamide Openeye Name: N-[2-amino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-2-benzyl-3-tert-butylsulfonyl-propanamide CAS Name: N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(tert-butylsulfonylmethyl)-3-phenylpropanamide IUPAC Name: N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-benzyl-3-tert-butylsulfonylpropanamide Traditional Name: N-[2-amino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-2-benzyl-3-tert-butylsulfonyl-propionamide Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)N

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)N

InChI

InChI=1S/C20H28N4O4S/c1-20(2,3)29(27,28)12-15(9-14-7-5-4-6-8-14)19(26)24-17(18(21)25)10-16-11-22-13-23-16/h4-8,11,13,15,17H,9-10,12H2,1-3H3,(H2,21,25)(H,22,23)(H,24,26)