(3S)-3-phenyl-3-[[1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (3S)-3-phenyl-3-[[1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (3S)-3-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (3S)-3-[[[1-(benzenesulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (3S)-3-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (3S)-3-[(1-besylprolyl)amino]-3-phenyl-propionic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S/c23-19(24)14-17(15-8-3-1-4-9-15)21-20(25)18-12-7-13-22(18)28(26,27)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,21,25)(H,23,24)/t17-,18?/m0/s1