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

Systemtic Name: 5-[5-[[2,6-bis(chloranyl)phenyl]methyl]-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenethylsulfanylcarbonylamino)pentanoic acid Openeye Name: 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-1-yl]-4-oxo-3-(phenethylsulfanylcarbonylamino)pentanoic acid CAS Name: 5-[5-[(2,6-dichlorophenyl)methyl]-1-tetrazolyl]-4-oxo-3-[[oxo-(phenethylthio)methyl]amino]pentanoic acid IUPAC Name: 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-1-yl]-4-oxo-3-(phenethylsulfanylcarbonylamino)pentanoic acid Traditional Name: 5-[5-(2,6-dichlorobenzyl)tetrazol-1-yl]-4-keto-3-[(phenethylthio)carbonylamino]valeric acid Formula: C22H21Cl2N5O4S MolecularWeight: 522.40424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCSC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C22H21Cl2N5O4S/c23-16-7-4-8-17(24)15(16)11-20-26-27-28-29(20)13-19(30)18(12-21(31)32)25-22(33)34-10-9-14-5-2-1-3-6-14/h1-8,18H,9-13H2,(H,25,33)(H,31,32)