3-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[[2-amino-4-(trifluoromethyl)phenyl]thio]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[[2-amino-4-(trifluoromethyl)phenyl]thio]-2-(benzyloxycarbonylamino)propionic acid Formula: C18H17F3N2O4S MolecularWeight: 414.39879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC2=C(C=C(C=C2)C(F)(F)F)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC2=C(C=C(C=C2)C(F)(F)F)N)C(=O)O

InChI

InChI=1S/C18H17F3N2O4S/c19-18(20,21)12-6-7-15(13(22)8-12)28-10-14(16(24)25)23-17(26)27-9-11-4-2-1-3-5-11/h1-8,14H,9-10,22H2,(H,23,26)(H,24,25)