Rifamycin B cyclopentylmethylamide

[(9E,19E,21E)-27-[2-[cyclopentyl(methyl)amino]-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

Also Known As: Rifamycin B cyclopentylmethylamide|NCI 173-428|LS-9223|Rifamycin, 4-O-(2-(cyclopentylmethylamino)-2-oxoethyl)-|Rifamycin, 4-O-[2-(cyclopentylmethylamino)-2-oxoethyl]-|N-Cyclopentyl-2-((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-N-methylacetamide 21-acetate|Acetamide, 2-((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-N-cyclopentyl-N-methyl-, 21-acetate|Acetamide, N-cyclopentyl-2-((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-N-methyl-, 21-acetate|[[2-[cyclopentyl(methyl)amino]-2-oxo-ethoxy]-tetrahydroxy-methoxy-heptamethyl-dioxo-[?]yl] acetate|Acetamide, 2-[[(14E)-21-(acetyloxy)-1,2-dihydro-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-9-yl]oxy]-N-cyclopentyl-N-methyl-

Molecular Formula	C45H60N2O13
Molecular Weight	836.40955 g/mol
LogP	5.82832
Topological Polar Surface Area	210.62 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	6
Exact Mass	836.40955
Monoisotopic Mass	836.40955
Heavy Atoms	60
Complexity	2070.8303

Chemical Identifiers

CAS Number	17607-41-9
SMILES	CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)C5CCCC5)\C