[(2R)-1-[[4-(2-naphthalen-1-ylethanoylamino)-3-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]azanium chloride

Systemtic Name: [(2R)-1-[[4-(2-naphthalen-1-ylethanoylamino)-3-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]azanium chloride Openeye Name: [(1R)-2-[3-benzoyl-4-[[2-(1-naphthyl)acetyl]amino]anilino]-2-oxo-1-(sulfanylmethyl)ethyl]ammonium chloride CAS Name: [(2R)-1-[3-benzoyl-4-[[2-(1-naphthalenyl)-1-oxoethyl]amino]anilino]-3-mercapto-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2R)-1-[3-benzoyl-4-[(2-naphthalen-1-ylacetyl)amino]anilino]-1-oxo-3-sulfanylpropan-2-yl]azanium chloride Traditional Name: [(1R)-2-[3-benzoyl-4-[[2-(1-naphthyl)acetyl]amino]anilino]-2-keto-1-(mercaptomethyl)ethyl]ammonium chloride Formula: C28H26ClN3O3S MolecularWeight: 520.04234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(CS)[NH3+])NC(=O)CC3=CC=CC4=CC=CC=C43.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)NC(=O)[C@H](CS)[NH3+])NC(=O)CC3=CC=CC4=CC=CC=C43.[Cl-]

InChI

InChI=1S/C28H25N3O3S.ClH/c29-24(17-35)28(34)30-21-13-14-25(23(16-21)27(33)19-8-2-1-3-9-19)31-26(32)15-20-11-6-10-18-7-4-5-12-22(18)20;/h1-14,16,24,35H,15,17,29H2,(H,30,34)(H,31,32);1H/t24-;/m0./s1