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

Systemtic Name: 5-[5-[4-acetamido-2,6-bis(chloranyl)phenyl]sulfanyl-1,2,3,4-tetrazol-2-yl]-3-azanyl-2-butoxycarbonyl-4-oxidanylidene-pentanoic acid Openeye Name: 5-[5-(4-acetamido-2,6-dichloro-phenyl)sulfanyltetrazol-2-yl]-3-amino-2-butoxycarbonyl-4-oxo-pentanoic acid CAS Name: 5-[5-[(4-acetamido-2,6-dichlorophenyl)thio]-2-tetrazolyl]-3-amino-2-[butoxy(oxo)methyl]-4-oxopentanoic acid IUPAC Name: 5-[5-(4-acetamido-2,6-dichlorophenyl)sulfanyltetrazol-2-yl]-3-amino-2-butoxycarbonyl-4-oxopentanoic acid Traditional Name: 5-[5-[(4-acetamido-2,6-dichloro-phenyl)thio]tetrazol-2-yl]-3-amino-2-butoxycarbonyl-4-keto-valeric acid Formula: C19H22Cl2N6O6S MolecularWeight: 533.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(C(=O)CN1N=C(N=N1)SC2=C(C=C(C=C2Cl)NC(=O)C)Cl)N)C(=O)O

Isomeric SMILES

CCCCOC(=O)C(C(C(=O)CN1N=C(N=N1)SC2=C(C=C(C=C2Cl)NC(=O)C)Cl)N)C(=O)O

InChI

InChI=1S/C19H22Cl2N6O6S/c1-3-4-5-33-18(32)14(17(30)31)15(22)13(29)8-27-25-19(24-26-27)34-16-11(20)6-10(7-12(16)21)23-9(2)28/h6-7,14-15H,3-5,8,22H2,1-2H3,(H,23,28)(H,30,31)