(2S)-3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-2-[(2-methyl-2-piperidin-1-ylcarbonyl-butanoyl)amino]propanoic acid

Systemtic Name: (2S)-3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-2-[(2-methyl-2-piperidin-1-ylcarbonyl-butanoyl)amino]propanoic acid Openeye Name: (2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[2-methyl-2-(piperidine-1-carbonyl)butanoyl]amino]propanoic acid CAS Name: (2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[2-methyl-1-oxo-2-[oxo(1-piperidinyl)methyl]butyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[2-methyl-2-(piperidine-1-carbonyl)butanoyl]amino]propanoic acid Traditional Name: (2S)-3-[4-(2,6-dichlorobenzyl)oxyphenyl]-2-[[2-methyl-2-(piperidine-1-carbonyl)butanoyl]amino]propionic acid Formula: C27H32Cl2N2O5 MolecularWeight: 535.45938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)NC(CC1=CC=C(C=C1)OCC2=C(C=CC=C2Cl)Cl)C(=O)O)C(=O)N3CCCCC3

Isomeric SMILES

CCC(C)(C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=C(C=CC=C2Cl)Cl)C(=O)O)C(=O)N3CCCCC3

InChI

InChI=1S/C27H32Cl2N2O5/c1-3-27(2,26(35)31-14-5-4-6-15-31)25(34)30-23(24(32)33)16-18-10-12-19(13-11-18)36-17-20-21(28)8-7-9-22(20)29/h7-13,23H,3-6,14-17H2,1-2H3,(H,30,34)(H,32,33)/t23-,27?/m0/s1