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

Systemtic Name: 5-[5-[(4-chlorophenyl)sulfinylmethyl]-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-[5-[(4-chlorophenyl)sulfinylmethyl]tetrazol-1-yl]-4-oxo-pentanoic acid CAS Name: 5-[5-[(4-chlorophenyl)sulfinylmethyl]-1-tetrazolyl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[5-[(4-chlorophenyl)sulfinylmethyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-[5-[(4-chlorophenyl)sulfinylmethyl]tetrazol-1-yl]-4-keto-valeric acid Formula: C21H20ClN5O6S MolecularWeight: 505.9314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)CS(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)CS(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN5O6S/c22-15-6-8-16(9-7-15)34(32)13-19-24-25-26-27(19)11-18(28)17(10-20(29)30)23-21(31)33-12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,23,31)(H,29,30)