5-(5-cyclohexylsulfanyl-1,2,3,4-tetrazol-2-yl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(5-cyclohexylsulfanyl-1,2,3,4-tetrazol-2-yl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-(5-cyclohexylsulfanyltetrazol-2-yl)-4-oxo-pentanoic acid CAS Name: 5-[5-(cyclohexylthio)-2-tetrazolyl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(5-cyclohexylsulfanyltetrazol-2-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-[5-(cyclohexylthio)tetrazol-2-yl]-4-keto-valeric acid Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)SC2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O5S/c26-17(12-25-23-19(22-24-25)31-15-9-5-2-6-10-15)16(11-18(27)28)21-20(29)30-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,21,29)(H,27,28)