2-[[2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-(2-amino-3-tritylsulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-[2-amino-1-oxo-3-[(triphenylmethyl)thio]propyl]anilino)acetic acid IUPAC Name: 2-(N-(2-amino-3-tritylsulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(N-[2-amino-3-(tritylthio)propanoyl]anilino)acetic acid Formula: C30H28N2O3S MolecularWeight: 496.61992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)N(CC(=O)O)C4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)N(CC(=O)O)C4=CC=CC=C4)N

InChI

InChI=1S/C30H28N2O3S/c31-27(29(35)32(21-28(33)34)26-19-11-4-12-20-26)22-36-30(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-20,27H,21-22,31H2,(H,33,34)