(2S)-2-[[(2S)-1-(phenylcarbonyl)pyrrolidin-2-yl]carbonylamino]-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-(phenylcarbonyl)pyrrolidin-2-yl]carbonylamino]-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: (2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-benzoyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: (2S)-2-[[(2S)-1-benzoylprolyl]amino]-3-[4-(cinchoninoylamino)phenyl]propionic acid Formula: C31H28N4O5 MolecularWeight: 536.57782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=CC=NC5=CC=CC=C45)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)NC(=O)C4=CC=NC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C31H28N4O5/c36-28(24-16-17-32-25-10-5-4-9-23(24)25)33-22-14-12-20(13-15-22)19-26(31(39)40)34-29(37)27-11-6-18-35(27)30(38)21-7-2-1-3-8-21/h1-5,7-10,12-17,26-27H,6,11,18-19H2,(H,33,36)(H,34,37)(H,39,40)/t26-,27-/m0/s1