7-[(1R)-2-[9-[[2-[(R)-cyclohexyl-oxidanyl-phenyl-methyl]-1,3-oxazol-5-yl]methyl-dimethyl-azaniumyl]nonylamino]-1-oxidanyl-ethyl]-2-oxidanylidene-3H-1,3-benzothiazol-4-olate; methanoic acid

Systemtic Name: 7-[(1R)-2-[9-[[2-[(R)-cyclohexyl-oxidanyl-phenyl-methyl]-1,3-oxazol-5-yl]methyl-dimethyl-azaniumyl]nonylamino]-1-oxidanyl-ethyl]-2-oxidanylidene-3H-1,3-benzothiazol-4-olate; methanoic acid Openeye Name: 7-[(1R)-2-[9-[[2-[(R)-cyclohexyl-hydroxy-phenyl-methyl]oxazol-5-yl]methyl-dimethyl-ammonio]nonylamino]-1-hydroxy-ethyl]-2-oxo-3H-1,3-benzothiazol-4-olate; formic acid CAS Name: 7-[(1R)-2-[9-[[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-5-oxazolyl]methyl-dimethylammonio]nonylamino]-1-hydroxyethyl]-2-oxo-3H-1,3-benzothiazol-4-olate; formic acid IUPAC Name: 7-[(1R)-2-[9-[[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethylazaniumyl]nonylamino]-1-hydroxyethyl]-2-oxo-3H-1,3-benzothiazol-4-olate; formic acid Traditional Name: 7-[(1R)-2-[9-[[2-[(R)-cyclohexyl-hydroxy-phenyl-methyl]oxazol-5-yl]methyl-dimethyl-ammonio]nonylamino]-1-hydroxy-ethyl]-2-keto-3H-1,3-benzothiazol-4-olate; formic acid Formula: C39H56N4O9S MolecularWeight: 756.94834

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCCCNCC(C1=C2C(=C(C=C1)[O-])NC(=O)S2)O)CC3=CN=C(O3)C(C4CCCCC4)(C5=CC=CC=C5)O.C(=O)O.C(=O)O

Isomeric SMILES

C[N+](C)(CCCCCCCCCNC[C@@H](C1=C2C(=C(C=C1)[O-])NC(=O)S2)O)CC3=CN=C(O3)[C@@](C4CCCCC4)(C5=CC=CC=C5)O.C(=O)O.C(=O)O

InChI

InChI=1S/C37H52N4O5S.2CH2O2/c1-41(2,26-29-24-39-35(46-29)37(45,27-16-10-8-11-17-27)28-18-12-9-13-19-28)23-15-7-5-3-4-6-14-22-38-25-32(43)30-20-21-31(42)33-34(30)47-36(44)40-33;2*2-1-3/h8,10-11,16-17,20-21,24,28,32,38,43,45H,3-7,9,12-15,18-19,22-23,25-26H2,1-2H3,(H-,40,42,44);2*1H,(H,2,3)/t32-,37-;;/m0../s1