2-[(3E)-3-hydroxyimino-4-[3-[[(3Z)-3-hydroxyimino-2-methyl-butan-2-yl]amino]propylamino]-4-methyl-pentyl]-5-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyloxycarbamoyl]benzoic acid

Systemtic Name: 2-[(3E)-3-hydroxyimino-4-[3-[[(3Z)-3-hydroxyimino-2-methyl-butan-2-yl]amino]propylamino]-4-methyl-pentyl]-5-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyloxycarbamoyl]benzoic acid Openeye Name: 2-[(3E)-3-hydroxyimino-4-[3-[[(2Z)-2-hydroxyimino-1,1-dimethyl-propyl]amino]propylamino]-4-methyl-pentyl]-5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyloxycarbamoyl]benzoic acid CAS Name: 2-[(3E)-3-hydroxyimino-4-[3-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-4-methylpentyl]-5-[oxo-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentoxy]amino]methyl]benzoic acid IUPAC Name: 2-[(3E)-3-hydroxyimino-4-[3-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-4-methylpentyl]-5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyloxycarbamoyl]benzoic acid Traditional Name: 2-[(3E)-3-hydroximino-4-[3-[[(2Z)-2-hydroximino-1,1-dimethyl-propyl]amino]propylamino]-4-methyl-pentyl]-5-[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoyloxycarbamoyl]benzoic acid Formula: C32H49N7O8S MolecularWeight: 691.83856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NO)C(C)(C)NCCCNC(C)(C)C(=NO)CCC1=C(C=C(C=C1)C(=O)NOC(=O)CCCCC2C3C(CS2)NC(=O)N3)C(=O)O

Isomeric SMILES

C/C(=N/O)/C(C)(C)NCCCNC(C)(C)/C(=N/O)/CCC1=C(C=C(C=C1)C(=O)NOC(=O)CCCCC2C3C(CS2)NC(=O)N3)C(=O)O

InChI

InChI=1S/C32H49N7O8S/c1-19(37-45)31(2,3)33-15-8-16-34-32(4,5)25(38-46)14-13-20-11-12-21(17-22(20)29(42)43)28(41)39-47-26(40)10-7-6-9-24-27-23(18-48-24)35-30(44)36-27/h11-12,17,23-24,27,33-34,45-46H,6-10,13-16,18H2,1-5H3,(H,39,41)(H,42,43)(H2,35,36,44)/b37-19-,38-25+