(2S)-2-azanyl-3-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfinyl-propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfinyl-propanoic acid Openeye Name: (2S)-2-amino-3-[2-(N-isopropylanilino)-2-oxo-ethyl]sulfinyl-propanoic acid CAS Name: (2S)-2-amino-3-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfinylpropanoic acid IUPAC Name: (2S)-2-amino-3-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfinylpropanoic acid Traditional Name: (2S)-2-amino-3-[2-(N-isopropylanilino)-2-keto-ethyl]sulfinyl-propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CS(=O)CC(C(=O)O)N

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CS(=O)C[C@H](C(=O)O)N

InChI

InChI=1S/C14H20N2O4S/c1-10(2)16(11-6-4-3-5-7-11)13(17)9-21(20)8-12(15)14(18)19/h3-7,10,12H,8-9,15H2,1-2H3,(H,18,19)/t12-,21?/m1/s1