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

Systemtic Name: 5-[5-[2,6-bis(chloranyl)-4-(dimethylamino)phenyl]sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenethylsulfanylcarbonylamino)pentanoic acid Openeye Name: 5-[5-[2,6-dichloro-4-(dimethylamino)phenyl]sulfanyltetrazol-1-yl]-4-oxo-3-(phenethylsulfanylcarbonylamino)pentanoic acid CAS Name: 5-[5-[[2,6-dichloro-4-(dimethylamino)phenyl]thio]-1-tetrazolyl]-4-oxo-3-[[oxo-(phenethylthio)methyl]amino]pentanoic acid IUPAC Name: 5-[5-[2,6-dichloro-4-(dimethylamino)phenyl]sulfanyltetrazol-1-yl]-4-oxo-3-(phenethylsulfanylcarbonylamino)pentanoic acid Traditional Name: 5-[5-[[2,6-dichloro-4-(dimethylamino)phenyl]thio]tetrazol-1-yl]-4-keto-3-[(phenethylthio)carbonylamino]valeric acid Formula: C23H24Cl2N6O4S2 MolecularWeight: 583.51046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C(=C1)Cl)SC2=NN=NN2CC(=O)C(CC(=O)O)NC(=O)SCCC3=CC=CC=C3)Cl

Isomeric SMILES

CN(C)C1=CC(=C(C(=C1)Cl)SC2=NN=NN2CC(=O)C(CC(=O)O)NC(=O)SCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H24Cl2N6O4S2/c1-30(2)15-10-16(24)21(17(25)11-15)37-22-27-28-29-31(22)13-19(32)18(12-20(33)34)26-23(35)36-9-8-14-6-4-3-5-7-14/h3-7,10-11,18H,8-9,12-13H2,1-2H3,(H,26,35)(H,33,34)