(3S)-3-[[(2R)-2-[3-[(2-chlorophenyl)methyl]-5-methyl-2-oxidanylidene-pyridin-1-yl]hexanoyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid

Systemtic Name: (3S)-3-[[(2R)-2-[3-[(2-chlorophenyl)methyl]-5-methyl-2-oxidanylidene-pyridin-1-yl]hexanoyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid Openeye Name: (3S)-3-[[(2R)-2-[3-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-pyridyl]hexanoyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid CAS Name: (3S)-3-[[(2R)-2-[3-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-pyridinyl]-1-oxohexyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid IUPAC Name: (3S)-3-[[(2R)-2-[3-[(2-chlorophenyl)methyl]-5-methyl-2-oxopyridin-1-yl]hexanoyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid Traditional Name: (3S)-3-[[(2R)-2-[3-(2-chlorobenzyl)-2-keto-5-methyl-1-pyridyl]hexanoyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propionic acid Formula: C36H39ClN2O6 MolecularWeight: 631.15766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)O)C1=CC=C(C=C1)C2=C(C=CC=C2OC)OC)N3C=C(C=C(C3=O)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CCCC[C@H](C(=O)N[C@@H](CC(=O)O)C1=CC=C(C=C1)C2=C(C=CC=C2OC)OC)N3C=C(C=C(C3=O)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C36H39ClN2O6/c1-5-6-12-30(39-22-23(2)19-27(36(39)43)20-26-10-7-8-11-28(26)37)35(42)38-29(21-33(40)41)24-15-17-25(18-16-24)34-31(44-3)13-9-14-32(34)45-4/h7-11,13-19,22,29-30H,5-6,12,20-21H2,1-4H3,(H,38,42)(H,40,41)/t29-,30+/m0/s1