3-[4-(2-cyanophenyl)phenyl]-2-[[(2S)-2-methyl-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[4-(2-cyanophenyl)phenyl]-2-[[(2S)-2-methyl-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[4-(2-cyanophenyl)phenyl]-2-[[(2S)-2-methyl-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[4-(2-cyanophenyl)phenyl]-2-[[[(2S)-2-methyl-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(2-cyanophenyl)phenyl]-2-[[(2S)-2-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[4-(2-cyanophenyl)phenyl]-2-[[(2S)-2-methyl-1-(2-naphthylsulfonyl)prolyl]amino]propionic acid Formula: C32H29N3O5S MolecularWeight: 567.65476

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

Isomeric SMILES

C[C@]1(CCCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

InChI

InChI=1S/C32H29N3O5S/c1-32(17-6-18-35(32)41(39,40)27-16-15-23-7-2-3-8-25(23)20-27)31(38)34-29(30(36)37)19-22-11-13-24(14-12-22)28-10-5-4-9-26(28)21-33/h2-5,7-16,20,29H,6,17-19H2,1H3,(H,34,38)(H,36,37)/t29?,32-/m0/s1