5-[5-(2-chlorophenyl)-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(3-phenylpropylsulfanylcarbonylamino)pentanoic acid

Systemtic Name: 5-[5-(2-chlorophenyl)-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(3-phenylpropylsulfanylcarbonylamino)pentanoic acid Openeye Name: 5-[5-(2-chlorophenyl)tetrazol-1-yl]-4-oxo-3-(3-phenylpropylsulfanylcarbonylamino)pentanoic acid CAS Name: 5-[5-(2-chlorophenyl)-1-tetrazolyl]-4-oxo-3-[[oxo-(3-phenylpropylthio)methyl]amino]pentanoic acid IUPAC Name: 5-[5-(2-chlorophenyl)tetrazol-1-yl]-4-oxo-3-(3-phenylpropylsulfanylcarbonylamino)pentanoic acid Traditional Name: 5-[5-(2-chlorophenyl)tetrazol-1-yl]-4-keto-3-[(3-phenylpropylthio)carbonylamino]valeric acid Formula: C22H22ClN5O4S MolecularWeight: 487.95918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)C3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCSC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClN5O4S/c23-17-11-5-4-10-16(17)21-25-26-27-28(21)14-19(29)18(13-20(30)31)24-22(32)33-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,18H,6,9,12-14H2,(H,24,32)(H,30,31)