4-oxidanylidene-3-(phenethylsulfanylcarbonylamino)-5-(5-phenylsulfanyl-1,2,3,4-tetrazol-1-yl)pentanoic acid

Systemtic Name: 4-oxidanylidene-3-(phenethylsulfanylcarbonylamino)-5-(5-phenylsulfanyl-1,2,3,4-tetrazol-1-yl)pentanoic acid Openeye Name: 4-oxo-3-(phenethylsulfanylcarbonylamino)-5-(5-phenylsulfanyltetrazol-1-yl)pentanoic acid CAS Name: 4-oxo-3-[[oxo-(phenethylthio)methyl]amino]-5-[5-(phenylthio)-1-tetrazolyl]pentanoic acid IUPAC Name: 4-oxo-3-(phenethylsulfanylcarbonylamino)-5-(5-phenylsulfanyltetrazol-1-yl)pentanoic acid Traditional Name: 4-keto-3-[(phenethylthio)carbonylamino]-5-[5-(phenylthio)tetrazol-1-yl]valeric acid Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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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)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCSC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)SC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O4S2/c27-18(14-26-20(23-24-25-26)32-16-9-5-2-6-10-16)17(13-19(28)29)22-21(30)31-12-11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,22,30)(H,28,29)