N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-[[2-(isopropylamino)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-1-[[2-(isopropylamino)-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O5S/c1-11(2)19-15(22)10-18-17(24)14(7-8-27-3)20-16(23)12-5-4-6-13(9-12)21(25)26/h4-6,9,11,14H,7-8,10H2,1-3H3,(H,18,24)(H,19,22)(H,20,23)/t14-/m0/s1