(2S)-3-cyclohexyl-2-[[(2S)-4-phenyl-2-(quinolin-3-ylcarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-cyclohexyl-2-[[(2S)-4-phenyl-2-(quinolin-3-ylcarbonylamino)butanoyl]amino]propanoic acid Openeye Name: (2S)-3-cyclohexyl-2-[[(2S)-4-phenyl-2-(quinoline-3-carbonylamino)butanoyl]amino]propanoic acid CAS Name: (2S)-3-cyclohexyl-2-[[(2S)-1-oxo-2-[[oxo(3-quinolinyl)methyl]amino]-4-phenylbutyl]amino]propanoic acid IUPAC Name: (2S)-3-cyclohexyl-2-[[(2S)-4-phenyl-2-(quinoline-3-carbonylamino)butanoyl]amino]propanoic acid Traditional Name: (2S)-3-cyclohexyl-2-[[(2S)-4-phenyl-2-(quinoline-3-carbonylamino)butanoyl]amino]propionic acid Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)O)NC(=O)C(CCC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)O)NC(=O)[C@H](CCC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C29H33N3O4/c33-27(23-18-22-13-7-8-14-24(22)30-19-23)31-25(16-15-20-9-3-1-4-10-20)28(34)32-26(29(35)36)17-21-11-5-2-6-12-21/h1,3-4,7-10,13-14,18-19,21,25-26H,2,5-6,11-12,15-17H2,(H,31,33)(H,32,34)(H,35,36)/t25-,26-/m0/s1