3-[[3-(1-azanyl-3-oxidanylidene-3-phenylmethoxy-1-pyridin-4-yl-propoxy)-5-chloranyl-phenyl]carbonyl-tert-butyl-amino]propanoic acid

Systemtic Name: 3-[[3-(1-azanyl-3-oxidanylidene-3-phenylmethoxy-1-pyridin-4-yl-propoxy)-5-chloranyl-phenyl]carbonyl-tert-butyl-amino]propanoic acid Openeye Name: 3-[[3-[1-amino-3-benzyloxy-3-oxo-1-(4-pyridyl)propoxy]-5-chloro-benzoyl]-tert-butyl-amino]propanoic acid CAS Name: 3-[[[3-(1-amino-3-oxo-3-phenylmethoxy-1-pyridin-4-ylpropoxy)-5-chlorophenyl]-oxomethyl]-tert-butylamino]propanoic acid IUPAC Name: 3-[[3-(1-amino-3-oxo-3-phenylmethoxy-1-pyridin-4-ylpropoxy)-5-chlorobenzoyl]-tert-butylamino]propanoic acid Traditional Name: 3-[[3-[1-amino-3-benzoxy-3-keto-1-(4-pyridyl)propoxy]-5-chloro-benzoyl]-tert-butyl-amino]propionic acid Formula: C29H32ClN3O6 MolecularWeight: 554.03388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCC(=O)O)C(=O)C1=CC(=CC(=C1)Cl)OC(CC(=O)OCC2=CC=CC=C2)(C3=CC=NC=C3)N

Isomeric SMILES

CC(C)(C)N(CCC(=O)O)C(=O)C1=CC(=CC(=C1)Cl)OC(CC(=O)OCC2=CC=CC=C2)(C3=CC=NC=C3)N

InChI

InChI=1S/C29H32ClN3O6/c1-28(2,3)33(14-11-25(34)35)27(37)21-15-23(30)17-24(16-21)39-29(31,22-9-12-32-13-10-22)18-26(36)38-19-20-7-5-4-6-8-20/h4-10,12-13,15-17H,11,14,18-19,31H2,1-3H3,(H,34,35)