(2S)-3-[4-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid

Systemtic Name: (2S)-3-[4-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid Openeye Name: (2S)-2-(2-benzoylanilino)-3-[4-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]propanoic acid CAS Name: (2S)-2-(2-benzoylanilino)-3-[4-[3-(10-phenoxazinyl)prop-1-ynyl]phenyl]propanoic acid IUPAC Name: (2S)-2-(2-benzoylanilino)-3-[4-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]propanoic acid Traditional Name: (2S)-2-(2-benzoylanilino)-3-[4-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]propionic acid Formula: C37H28N2O4 MolecularWeight: 564.62922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(CC3=CC=C(C=C3)C#CCN4C5=CC=CC=C5OC6=CC=CC=C64)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N[C@@H](CC3=CC=C(C=C3)C#CCN4C5=CC=CC=C5OC6=CC=CC=C64)C(=O)O

InChI

InChI=1S/C37H28N2O4/c40-36(28-12-2-1-3-13-28)29-14-4-5-15-30(29)38-31(37(41)42)25-27-22-20-26(21-23-27)11-10-24-39-32-16-6-8-18-34(32)43-35-19-9-7-17-33(35)39/h1-9,12-23,31,38H,24-25H2,(H,41,42)/t31-/m0/s1