5-[5-[2,6-bis(chloranyl)phenyl]sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(3-pyrimidin-2-ylpropoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[5-[2,6-bis(chloranyl)phenyl]sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(3-pyrimidin-2-ylpropoxycarbonylamino)pentanoic acid Openeye Name: 5-[5-(2,6-dichlorophenyl)sulfanyltetrazol-1-yl]-4-oxo-3-(3-pyrimidin-2-ylpropoxycarbonylamino)pentanoic acid CAS Name: 5-[5-[(2,6-dichlorophenyl)thio]-1-tetrazolyl]-4-oxo-3-[[oxo-[3-(2-pyrimidinyl)propoxy]methyl]amino]pentanoic acid IUPAC Name: 5-[5-(2,6-dichlorophenyl)sulfanyltetrazol-1-yl]-4-oxo-3-(3-pyrimidin-2-ylpropoxycarbonylamino)pentanoic acid Traditional Name: 5-[5-[(2,6-dichlorophenyl)thio]tetrazol-1-yl]-4-keto-3-[3-(2-pyrimidyl)propoxycarbonylamino]valeric acid Formula: C20H19Cl2N7O5S MolecularWeight: 540.37976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)SC2=NN=NN2CC(=O)C(CC(=O)O)NC(=O)OCCCC3=NC=CC=N3)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)SC2=NN=NN2CC(=O)C(CC(=O)O)NC(=O)OCCCC3=NC=CC=N3)Cl

InChI

InChI=1S/C20H19Cl2N7O5S/c21-12-4-1-5-13(22)18(12)35-19-26-27-28-29(19)11-15(30)14(10-17(31)32)25-20(33)34-9-2-6-16-23-7-3-8-24-16/h1,3-5,7-8,14H,2,6,9-11H2,(H,25,33)(H,31,32)