(3S)-4-(2-cyclohexylethanoylamino)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-(2-cyclohexylethanoylamino)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[(2-cyclohexylacetyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: (3S)-4-[(2-cyclohexyl-1-oxoethyl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: (3S)-4-[(2-cyclohexylacetyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: (3S)-4-[(2-cyclohexylacetyl)amino]-4-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)NC(=O)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCC(CC1)CC(=O)NC(=O)[C@H](CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H26N2O6S/c25-20(12-15-6-2-1-3-7-15)23-22(28)19(14-21(26)27)24-31(29,30)18-11-10-16-8-4-5-9-17(16)13-18/h4-5,8-11,13,15,19,24H,1-3,6-7,12,14H2,(H,26,27)(H,23,25,28)/t19-/m0/s1