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

Systemtic Name: 5-[5-[2,6-bis(chloranyl)-4-(dimethylamino)phenyl]sulfanyl-1,2,3,4-tetrazol-2-yl]-3-[4-(4-methoxyphenyl)butoxycarbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-[5-[2,6-dichloro-4-(dimethylamino)phenyl]sulfanyltetrazol-2-yl]-3-[4-(4-methoxyphenyl)butoxycarbonylamino]-4-oxo-pentanoic acid CAS Name: 5-[5-[[2,6-dichloro-4-(dimethylamino)phenyl]thio]-2-tetrazolyl]-3-[[4-(4-methoxyphenyl)butoxy-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-[5-[2,6-dichloro-4-(dimethylamino)phenyl]sulfanyltetrazol-2-yl]-3-[4-(4-methoxyphenyl)butoxycarbonylamino]-4-oxopentanoic acid Traditional Name: 5-[5-[[2,6-dichloro-4-(dimethylamino)phenyl]thio]tetrazol-2-yl]-4-keto-3-[4-(4-methoxyphenyl)butoxycarbonylamino]valeric acid Formula: C26H30Cl2N6O6S MolecularWeight: 625.524

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C(=C1)Cl)SC2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)OCCCCC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CN(C)C1=CC(=C(C(=C1)Cl)SC2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)OCCCCC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C26H30Cl2N6O6S/c1-33(2)17-12-19(27)24(20(28)13-17)41-25-30-32-34(31-25)15-22(35)21(14-23(36)37)29-26(38)40-11-5-4-6-16-7-9-18(39-3)10-8-16/h7-10,12-13,21H,4-6,11,14-15H2,1-3H3,(H,29,38)(H,36,37)