(2S)-2-[(1-octylsulfonylcyclopentyl)carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: (2S)-2-[(1-octylsulfonylcyclopentyl)carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: (2S)-2-[(1-octylsulfonylcyclopentanecarbonyl)amino]-3-(4-phenylphenyl)propanoic acid CAS Name: (2S)-2-[[(1-octylsulfonylcyclopentyl)-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: (2S)-2-[(1-octylsulfonylcyclopentanecarbonyl)amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: (2S)-2-[(1-octylsulfonylcyclopentanecarbonyl)amino]-3-(4-phenylphenyl)propionic acid Formula: C29H39NO5S MolecularWeight: 513.68866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1(CCCC1)C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H39NO5S/c1-2-3-4-5-6-12-21-36(34,35)29(19-10-11-20-29)28(33)30-26(27(31)32)22-23-15-17-25(18-16-23)24-13-8-7-9-14-24/h7-9,13-18,26H,2-6,10-12,19-22H2,1H3,(H,30,33)(H,31,32)/t26-/m0/s1