(2S)-2-(aminocarbonylamino)-N-[3-(tert-butylsulfamoyl)phenyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-[3-(tert-butylsulfamoyl)phenyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(carbamoylamino)-4-(methylthio)butanamide IUPAC Name: (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylthio)-2-ureido-butyramide Formula: C16H26N4O4S2 MolecularWeight: 402.53204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C16H26N4O4S2/c1-16(2,3)20-26(23,24)12-7-5-6-11(10-12)18-14(21)13(8-9-25-4)19-15(17)22/h5-7,10,13,20H,8-9H2,1-4H3,(H,18,21)(H3,17,19,22)/t13-/m0/s1