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

Systemtic Name: 5-[5-[2,6-bis(chloranyl)phenyl]sulfanyl-1,2,3,4-tetrazol-1-yl]-3-(2-cyclohexylethoxycarbonylamino)-4-oxidanylidene-pentanoic acid Openeye Name: 3-(2-cyclohexylethoxycarbonylamino)-5-[5-(2,6-dichlorophenyl)sulfanyltetrazol-1-yl]-4-oxo-pentanoic acid CAS Name: 3-[[2-cyclohexylethoxy(oxo)methyl]amino]-5-[5-[(2,6-dichlorophenyl)thio]-1-tetrazolyl]-4-oxopentanoic acid IUPAC Name: 3-(2-cyclohexylethoxycarbonylamino)-5-[5-(2,6-dichlorophenyl)sulfanyltetrazol-1-yl]-4-oxopentanoic acid Traditional Name: 3-(2-cyclohexylethoxycarbonylamino)-5-[5-[(2,6-dichlorophenyl)thio]tetrazol-1-yl]-4-keto-valeric acid Formula: C21H25Cl2N5O5S MolecularWeight: 530.4247

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)SC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1CCC(CC1)CCOC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)SC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C21H25Cl2N5O5S/c22-14-7-4-8-15(23)19(14)34-20-25-26-27-28(20)12-17(29)16(11-18(30)31)24-21(32)33-10-9-13-5-2-1-3-6-13/h4,7-8,13,16H,1-3,5-6,9-12H2,(H,24,32)(H,30,31)