(2S)-4-azanyl-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-4-keto-2-(naphthionylamino)butyric acid Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C16H19N3O5S/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22)/t12-/m0/s1