(2R)-3-(4-phenylphenyl)-2-[(2R)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-3-(4-phenylphenyl)-2-[(2R)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]sulfanyl-propanoic acid Openeye Name: (2R)-3-(4-phenylphenyl)-2-[(2R)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2R)-1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propyl]thio]-3-(4-phenylphenyl)propanoic acid IUPAC Name: (2R)-3-(4-phenylphenyl)-2-[(2R)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2R)-2-[[(E)-3-phenylacryloyl]amino]propanoyl]thio]-3-(4-phenylphenyl)propionic acid Formula: C27H25NO4S MolecularWeight: 459.5567

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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)C=CC3=CC=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)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H25NO4S/c1-19(28-25(29)17-14-20-8-4-2-5-9-20)27(32)33-24(26(30)31)18-21-12-15-23(16-13-21)22-10-6-3-7-11-22/h2-17,19,24H,18H2,1H3,(H,28,29)(H,30,31)/b17-14+/t19-,24-/m1/s1