(2S)-2-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-(methylsulfonylmethyl)benzoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-(methylsulfonylmethyl)benzoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-(mesylmethyl)benzoyl]amino]-3-phenyl-propionic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H19NO5S/c1-25(23,24)12-14-7-9-15(10-8-14)17(20)19-16(18(21)22)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)/t16-/m0/s1