(2S,3S)-1,4-bis[4-(3-iodanyl-4-methoxy-phenyl)butylamino]butane-2,3-diol

Systemtic Name: (2S,3S)-1,4-bis[4-(3-iodanyl-4-methoxy-phenyl)butylamino]butane-2,3-diol Openeye Name: (2S,3S)-1,4-bis[4-(3-iodanyl-4-methoxy-phenyl)butylamino]butane-2,3-diol CAS Name: (2S,3S)-1,4-bis[4-(3-iodanyl-4-methoxyphenyl)butylamino]butane-2,3-diol IUPAC Name: (2S,3S)-1,4-bis[4-(3-iodanyl-4-methoxyphenyl)butylamino]butane-2,3-diol Traditional Name: (2S,3S)-1,4-bis[4-(3-iodanyl-4-methoxy-phenyl)butylamino]butane-2,3-diol Formula: C26H38I2N2O4 MolecularWeight: 704.403168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCCNCC(C(CNCCCCC2=CC(=C(C=C2)OC)I)O)O)I

Isomeric SMILES

COC1=C(C=C(C=C1)CCCCNC[C@@H]([C@H](CNCCCCC2=CC(=C(C=C2)OC)[131I])O)O)[131I]

InChI

InChI=1S/C26H38I2N2O4/c1-33-25-11-9-19(15-21(25)27)7-3-5-13-29-17-23(31)24(32)18-30-14-6-4-8-20-10-12-26(34-2)22(28)16-20/h9-12,15-16,23-24,29-32H,3-8,13-14,17-18H2,1-2H3/t23-,24-/m0/s1/i27+4,28+4