(2R)-3-(4-phenylphenyl)-2-[(2R)-2-(2-pyridin-3-ylethanoylamino)propanoyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-3-(4-phenylphenyl)-2-[(2R)-2-(2-pyridin-3-ylethanoylamino)propanoyl]sulfanyl-propanoic acid Openeye Name: (2R)-3-(4-phenylphenyl)-2-[(2R)-2-[[2-(3-pyridyl)acetyl]amino]propanoyl]sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2R)-1-oxo-2-[[1-oxo-2-(3-pyridinyl)ethyl]amino]propyl]thio]-3-(4-phenylphenyl)propanoic acid IUPAC Name: (2R)-3-(4-phenylphenyl)-2-[(2R)-2-[(2-pyridin-3-ylacetyl)amino]propanoyl]sulfanylpropanoic acid Traditional Name: (2R)-3-(4-phenylphenyl)-2-[[(2R)-2-[[2-(3-pyridyl)acetyl]amino]propanoyl]thio]propionic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)NC(=O)CC3=CN=CC=C3

Isomeric SMILES

C[C@H](C(=O)S[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)NC(=O)CC3=CN=CC=C3

InChI

InChI=1S/C25H24N2O4S/c1-17(27-23(28)15-19-6-5-13-26-16-19)25(31)32-22(24(29)30)14-18-9-11-21(12-10-18)20-7-3-2-4-8-20/h2-13,16-17,22H,14-15H2,1H3,(H,27,28)(H,29,30)/t17-,22-/m1/s1