6-phenyl-3-[[3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidene-propan-2-yl]carbamoyl]hexanoic acid

Systemtic Name: 6-phenyl-3-[[3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidene-propan-2-yl]carbamoyl]hexanoic acid Openeye Name: 3-[[1-benzyl-2-(3-phenylpropylamino)-2-thioxo-ethyl]carbamoyl]-6-phenyl-hexanoic acid CAS Name: 3-[oxo-[[3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidenepropan-2-yl]amino]methyl]-6-phenylhexanoic acid IUPAC Name: 6-phenyl-3-[[3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidenepropan-2-yl]carbamoyl]hexanoic acid Traditional Name: 3-[[1-benzyl-2-(3-phenylpropylamino)-2-thioxo-ethyl]carbamoyl]-6-phenyl-hexanoic acid Formula: C31H36N2O3S MolecularWeight: 516.69414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=S)NCCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=S)NCCCC3=CC=CC=C3

InChI

InChI=1S/C31H36N2O3S/c34-29(35)23-27(20-10-18-24-12-4-1-5-13-24)30(36)33-28(22-26-16-8-3-9-17-26)31(37)32-21-11-19-25-14-6-2-7-15-25/h1-9,12-17,27-28H,10-11,18-23H2,(H,32,37)(H,33,36)(H,34,35)