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

Systemtic Name: (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-4-(pentanoylamino)butanoic acid Openeye Name: (3S)-3-(2-naphthylsulfonylamino)-4-oxo-4-(pentanoylamino)butanoic acid CAS Name: (3S)-3-(2-naphthalenylsulfonylamino)-4-oxo-4-(1-oxopentylamino)butanoic acid IUPAC Name: (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-(pentanoylamino)butanoic acid Traditional Name: (3S)-4-keto-3-(2-naphthylsulfonylamino)-4-(valerylamino)butyric acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=O)C(CC(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCC(=O)NC(=O)[C@H](CC(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C19H22N2O6S/c1-2-3-8-17(22)20-19(25)16(12-18(23)24)21-28(26,27)15-10-9-13-6-4-5-7-14(13)11-15/h4-7,9-11,16,21H,2-3,8,12H2,1H3,(H,23,24)(H,20,22,25)/t16-/m0/s1