5-[5-[4-(dimethylamino)-2,6-dimethyl-phenyl]sulfanyl-1,2,3,4-tetrazol-1-yl]-3-[2-(4-methoxyphenyl)ethoxycarbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-[5-[4-(dimethylamino)-2,6-dimethyl-phenyl]sulfanyl-1,2,3,4-tetrazol-1-yl]-3-[2-(4-methoxyphenyl)ethoxycarbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-[5-[4-(dimethylamino)-2,6-dimethyl-phenyl]sulfanyltetrazol-1-yl]-3-[2-(4-methoxyphenyl)ethoxycarbonylamino]-4-oxo-pentanoic acid CAS Name: 5-[5-[[4-(dimethylamino)-2,6-dimethylphenyl]thio]-1-tetrazolyl]-3-[[2-(4-methoxyphenyl)ethoxy-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-[5-[4-(dimethylamino)-2,6-dimethylphenyl]sulfanyltetrazol-1-yl]-3-[2-(4-methoxyphenyl)ethoxycarbonylamino]-4-oxopentanoic acid Traditional Name: 5-[5-[[4-(dimethylamino)-2,6-dimethyl-phenyl]thio]tetrazol-1-yl]-4-keto-3-[2-(4-methoxyphenyl)ethoxycarbonylamino]valeric acid Formula: C26H32N6O6S MolecularWeight: 556.63388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=NN=NN2CC(=O)C(CC(=O)O)NC(=O)OCCC3=CC=C(C=C3)OC)C)N(C)C

Isomeric SMILES

CC1=CC(=CC(=C1SC2=NN=NN2CC(=O)C(CC(=O)O)NC(=O)OCCC3=CC=C(C=C3)OC)C)N(C)C

InChI

InChI=1S/C26H32N6O6S/c1-16-12-19(31(3)4)13-17(2)24(16)39-25-28-29-30-32(25)15-22(33)21(14-23(34)35)27-26(36)38-11-10-18-6-8-20(37-5)9-7-18/h6-9,12-13,21H,10-11,14-15H2,1-5H3,(H,27,36)(H,34,35)