(2S)-2-[[(2S)-1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]carbonyl-(4-fluorophenyl)amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]carbonyl-(4-fluorophenyl)amino]propanoic acid Openeye Name: (2S)-2-(N-[(2S)-1-[[5-(benzamidomethyl)-2-thienyl]sulfonyl]pyrrolidine-2-carbonyl]-4-fluoro-anilino)propanoic acid CAS Name: (2S)-2-(N-[[(2S)-1-[[5-(benzamidomethyl)-2-thiophenyl]sulfonyl]-2-pyrrolidinyl]-oxomethyl]-4-fluoroanilino)propanoic acid IUPAC Name: (2S)-2-(N-[(2S)-1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carbonyl]-4-fluoroanilino)propanoic acid Traditional Name: (2S)-2-(N-[(2S)-1-[[5-(benzamidomethyl)-2-thienyl]sulfonyl]prolyl]-4-fluoro-anilino)propionic acid Formula: C26H26FN3O6S2 MolecularWeight: 559.629543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=C(C=C1)F)C(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)O)N(C1=CC=C(C=C1)F)C(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26FN3O6S2/c1-17(26(33)34)30(20-11-9-19(27)10-12-20)25(32)22-8-5-15-29(22)38(35,36)23-14-13-21(37-23)16-28-24(31)18-6-3-2-4-7-18/h2-4,6-7,9-14,17,22H,5,8,15-16H2,1H3,(H,28,31)(H,33,34)/t17-,22-/m0/s1