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-methylidene-3,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-N-[3-(4-azanylbutylamino)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-methylidene-3,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-N-[3-(4-azanylbutylamino)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-methylene-tetrahydropyran-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-N-[3-(4-aminobutylamino)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-methylene-2-oxanyl]oxy]-3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-N-[3-(4-aminobutylamino)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-methylideneoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-N-[3-(4-aminobutylamino)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-methylene-tetrahydropyran-2-yl]oxy-3-hydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-N-[3-(4-aminobutylamino)propyl]benzamide Formula: C40H66N6O18 MolecularWeight: 918.98144

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C40H66N6O18/c1-17(42)35(55)46-25-27(50)24(43)18(2)57-37(25)62-32-22(15-47)60-38(29(52)28(32)51)64-34-26(49)19(3)58-39(31(34)54)63-33-23(16-48)61-40(30(33)53)59-21-9-7-20(8-10-21)36(56)45-14-6-13-44-12-5-4-11-41/h7-10,17-18,22-34,37-40,44,47-54H,3-6,11-16,41-43H2,1-2H3,(H,45,56)(H,46,55)