(2S)-2-[[(2S)-1-(3-chlorophenyl)sulfonylazetidin-2-yl]carbonylamino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-(3-chlorophenyl)sulfonylazetidin-2-yl]carbonylamino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid Openeye Name: (2S)-2-[[(2S)-1-(3-chlorophenyl)sulfonylazetidine-2-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(3-chlorophenyl)sulfonyl-2-azetidinyl]-oxomethyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(3-chlorophenyl)sulfonylazetidine-2-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid Traditional Name: (2S)-2-[[(2S)-1-(3-chlorophenyl)sulfonylazetidine-2-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propionic acid Formula: C27H27ClN2O7S MolecularWeight: 559.03048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3CCN3S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)[C@@H]3CCN3S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H27ClN2O7S/c1-36-23-7-4-8-24(37-2)25(23)18-11-9-17(10-12-18)15-21(27(32)33)29-26(31)22-13-14-30(22)38(34,35)20-6-3-5-19(28)16-20/h3-12,16,21-22H,13-15H2,1-2H3,(H,29,31)(H,32,33)/t21-,22-/m0/s1