(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[[(2S)-1-[5-(phenylsulfonyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[[(2S)-1-[5-(phenylsulfonyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[(2S)-1-[[5-(benzenesulfonyl)-2-thienyl]sulfonyl]pyrrolidine-2-carbonyl]amino]-3-(4-tert-butoxyphenyl)propanoic acid CAS Name: (2S)-2-[[[(2S)-1-[[5-(benzenesulfonyl)-2-thiophenyl]sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Traditional Name: (2S)-2-[[(2S)-1-[(5-besyl-2-thienyl)sulfonyl]prolyl]amino]-3-(4-tert-butoxyphenyl)propionic acid Formula: C28H32N2O8S3 MolecularWeight: 620.75728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(S3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H32N2O8S3/c1-28(2,3)38-20-13-11-19(12-14-20)18-22(27(32)33)29-26(31)23-10-7-17-30(23)41(36,37)25-16-15-24(39-25)40(34,35)21-8-5-4-6-9-21/h4-6,8-9,11-16,22-23H,7,10,17-18H2,1-3H3,(H,29,31)(H,32,33)/t22-,23-/m0/s1