(2R)-2-[[(E)-3-naphthalen-2-yl-2-[[4-(trifluoromethyl)phenyl]carbonylamino]prop-2-enoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: (2R)-2-[[(E)-3-naphthalen-2-yl-2-[[4-(trifluoromethyl)phenyl]carbonylamino]prop-2-enoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: (2R)-3-benzylsulfanyl-2-[[(E)-3-(2-naphthyl)-2-[[4-(trifluoromethyl)benzoyl]amino]prop-2-enoyl]amino]propanoic acid CAS Name: (2R)-2-[[(E)-3-(2-naphthalenyl)-1-oxo-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]prop-2-enyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: (2R)-3-benzylsulfanyl-2-[[(E)-3-naphthalen-2-yl-2-[[4-(trifluoromethyl)benzoyl]amino]prop-2-enoyl]amino]propanoic acid Traditional Name: (2R)-3-(benzylthio)-2-[[(E)-3-(2-naphthyl)-2-[[4-(trifluoromethyl)benzoyl]amino]acryloyl]amino]propionic acid Formula: C31H25F3N2O4S MolecularWeight: 578.60141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(=CC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)/C(=C\C2=CC3=CC=CC=C3C=C2)/NC(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C31H25F3N2O4S/c32-31(33,34)25-14-12-23(13-15-25)28(37)35-26(17-21-10-11-22-8-4-5-9-24(22)16-21)29(38)36-27(30(39)40)19-41-18-20-6-2-1-3-7-20/h1-17,27H,18-19H2,(H,35,37)(H,36,38)(H,39,40)/b26-17+/t27-/m0/s1