4-[4-[4-[5-[5-azanyl-3-(2-azanylpropanoylamino)-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-N-[3-[4-(4-azanylbutylamino)butylamino]propyl]benzamide

Systemtic Name: 4-[4-[4-[5-[5-azanyl-3-(2-azanylpropanoylamino)-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-N-[3-[4-(4-azanylbutylamino)butylamino]propyl]benzamide Openeye Name: 4-[4-[4-[5-[5-amino-3-(2-aminopropanoylamino)-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-N-[3-[4-(4-aminobutylamino)butylamino]propyl]benzamide CAS Name: 4-[[4-[[4-[[5-[[5-amino-3-[(2-amino-1-oxopropyl)amino]-4-hydroxy-6-methyl-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-N-[3-[4-(4-aminobutylamino)butylamino]propyl]benzamide IUPAC Name: 4-[4-[4-[5-[5-amino-3-(2-aminopropanoylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-N-[3-[4-(4-aminobutylamino)butylamino]propyl]benzamide Traditional Name: 4-[4-[4-[5-[3-(alanylamino)-5-amino-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-hydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-N-[3-[4-(4-aminobutylamino)butylamino]propyl]benzamide Formula: C44H77N7O19 MolecularWeight: 1008.11768

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3O)OC4C(OC(C4O)OC5=CC=C(C=C5)C(=O)NCCCNCCCCNCCCCN)CO)CO)O)CO)NC(=O)C(C)N)O)N

Isomeric SMILES

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3O)OC4C(OC(C4O)OC5=CC=C(C=C5)C(=O)NCCCNCCCCNCCCCN)CO)CO)O)CO)NC(=O)C(C)N)O)N

InChI

InChI=1S/C44H77N7O19/c1-21(46)39(61)51-29-31(56)28(47)22(2)63-41(29)68-36-26(19-53)66-42(33(58)32(36)57)70-38-30(55)25(18-52)65-44(35(38)60)69-37-27(20-54)67-43(34(37)59)64-24-10-8-23(9-11-24)40(62)50-17-7-16-49-15-6-5-14-48-13-4-3-12-45/h8-11,21-22,25-38,41-44,48-49,52-60H,3-7,12-20,45-47H2,1-2H3,(H,50,62)(H,51,61)