2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-3-(4-thiophen-3-ylphenyl)propanoic acid

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-3-(4-thiophen-3-ylphenyl)propanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-[4-(3-thienyl)phenyl]propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-3-[4-(3-thiophenyl)phenyl]propanoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-(4-thiophen-3-ylphenyl)propanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-3-[4-(3-thienyl)phenyl]propionic acid Formula: C23H23NO3S2 MolecularWeight: 425.56362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)O

InChI

InChI=1S/C23H23NO3S2/c25-22(20(14-28)12-16-4-2-1-3-5-16)24-21(23(26)27)13-17-6-8-18(9-7-17)19-10-11-29-15-19/h1-11,15,20-21,28H,12-14H2,(H,24,25)(H,26,27)