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AG00ABNL

171500-79-1 | Ristomycin A aglycone,5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-b-D-glucopyranuronosyl]-38-[[[3-(dimethylamino)propyl]amino]carbonyl]-42-O-a-D-mannopyranosyl-N15-methyl-

Chemical structure of Ristomycin A aglycone,5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-b-D-glucopyranuronosyl]-38-[[[3-(dimethylamino)propyl]amino]carbonyl]-42-O-a-D-mannopyranosyl-N15-methyl-, CAS 171500-79-1
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CAS Number 171500-79-1
Catalog Number AG00ABNL(AGN-PC-0Q9W7T)
Chemical Name Ristomycin A aglycone,5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-b-D-glucopyranuronosyl]-38-[[[3-(dimethylamino)propyl]amino]carbonyl]-42-O-a-D-mannopyranosyl-N15-methyl-
IUPAC Name (2S,3S,4R,5R,6S)-6-[[(1S,2R,19R,22R,34S,37R,40R,52S)-5,32-dichloro-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-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-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,65-henicosaen-64-yl]oxy]-3,4-dihydroxy-5-(10-methylundecanoylamino)oxane-2-carboxylic acid
InChI InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1
InChI Key KGPGQDLTDHGEGT-SZUNQUCBSA-N
MDL Number MFCD09837770
Molecular Formula C88H100Cl2N10O28
Molecular Weight 1816.6918
SMILES O=C([C@@H](NC([C@@H](N1)[C@H](O)C2=CC=C(O3)C(Cl)=C2)=O)C4=CC(O)=CC(O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)=C4C6=C(O)C=CC([C@@H](NC([C@@H](C7=CC(O8)=C(O[C@H]9[C@H](NC(CCCCCCCCC(C)C)=O)[C@@H](O)[C@H](O)[C@H](C(O)=O)O9)C3=C7)NC([C@@H](NC(C(NC([C@H](NC)C%10=CC%11=C(O)C=C%10)=O)CC%12=CC=C8C=C%12)=O)C%13=C(Cl)C(O)=CC(O%11)=C%13)=O)=O)C1=O)=C6)NCCCN(C)C
UNII B0U42518WL
Synonyms
A-A-1 antibiotic, BI 397, BI397, A-A-1, BI397, Dalvance, UNII-B0U42518WL, CHEBI:82721, B0U42518WL, BI 397, dalbavancin B0, 171500-79-1, VER001, BI-397, MDL 63,397, UNII-808UI9MS5K, VERO001, Dalbavancin [USAN:INN:BAN], 808UI9MS5K, CHEMBL3301669, VER 001, KGPGQDLTDHGEGT-SZUNQUCBSA-N, MDL-64397, CS-3579, MDL 64,397, HY-17586, UNII-808UI9MS5K component KGPGQDLTDHGEGT-SZUNQUCBSA-N, Dalbavancin, Xydalba, Dalbavancin HCl, Dalbavancin Hydrochloride, 2-Deoxy-1-O-((3S,15R,18R,34R,35S,38S,48R,50aR)-5,31-dichloro-38-((3-(dimethylamino)propyl)carbamoyl)-6,11,34,40,44-pentahydroxy-42-(alpha-D-mannopyranosyloxy)-15-(methylamino)-2,16,36,50,51,59-hexaoxo-2,3,16,17,18,19,35,36,37,38,48,49,50,50a-tetradecahydro-20,23:30,33-dietheno-3,18:35,48-bis(iminomethano)-1H,15H-4,8:10,14:25,28:43,47-tetrametheno-34H-(1,14,6,22)dioxadiazacyclooctacosino(4,5-m)(10,2,16)benzoxadiazacyclotetracosin-56-yl)-2-((10-methylundecanoyl)amino)-beta-D-glucopyranuronic acid (main component), Ristomycin A aglycone, 5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-(2-deoxy-2-((10-methyl-1-oxoundecyl)amino)-beta-D-glucopyranuronosyl)-38-(((3-(dimethylamino)propyl)amino)carbonyl)-42-O-alpha-D-mannopyranosyl-N(sup 15)-methyl-, Ristomycin A aglycone, 5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-(2-deoxy-2-((10-methyl-1-oxoundecyl)amino)-beta-D-glucopyranuronosyl)-38-(((3-(dimethylamino)propyl)amino)carbonyl)-42-O-alpha-D-mannopyranosyl-N15-methyl-,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
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    Reviewed by:Jessie
    Date:
    Angene International Limited