Identification Common Name teicoplanin Class Small Molecule Description Not Available Contaminant Sources Contaminant Type Not Available Chemical Structure Synonyms Value Source (1S,2R,19R,22R,34S,37R,40R,52R)-22-Amino-5,15-dichloro-64-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxydecylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-21,26,31,35,38,44,49,54,56,59-decahydroxy-47-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2,.2,.2,.1,.1,.1,.1,.0,.0,]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylate Generator Targocid MeSH Teicoplanin MeSH Teichomycin a2 MeSH
Chemical Formula C88 H97 Cl2 N9 O33 Average Molecular Mass 1879.670 g/mol Monoisotopic Mass 1877.557 g/mol CAS Registry Number 61036-62-2 IUPAC Name (1S,2R,19R,22R,34S,37R,40R,52R)-22-amino-5,15-dichloro-64-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxydecylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-21,26,31,35,38,44,49,54,56,59-decahydroxy-47-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid Traditional Name (1S,2R,19R,22R,34S,37R,40R,52R)-22-amino-5,15-dichloro-64-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxydecylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-21,26,31,35,38,44,49,54,56,59-decahydroxy-47-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid SMILES [H][C@]1(CO)O[C@]([H])(OC2=CC(O)=CC3=C2C2=C(O)C=CC(=C2)[C@@]2([H])N=C(O)[C@]4([H])N=C(O)[C@@]5([H])N=C(O)[C@@]([H])(CC6=CC(Cl)=C(OC7=C(O[C@]8([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]8([H])N=C(O)CCCCCCCCC)C(OC8=C(Cl)C=C(C=C8)[C@@]([H])(O[C@]8([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]8([H])N=C(C)O)[C@]([H])(N=C2O)C(O)=N[C@@]3([H])C(O)=O)=CC4=C7)C=C6)N=C(O)[C@]([H])(N)C2=CC(OC3=CC5=CC(O)=C3)=C(O)C=C2)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O InChI Identifier InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1 InChI Key BJNLLBUOHPVGFT-QRZIFLFXSA-N 
