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Dalbavancin structure, CAS 17-1500-79-1

Dalbavancin

CAS Number17-1500-79-1

SynonymsDalbavancin; BI-397; BI-397 factor B0; MDL-63397; V-Glycopeptide

Molecular FormulaC88H100Cl2N10O28

Molecular Weight1816.7142

Purity98%

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Cat. No.: 2A-9092077 Purity: 98%
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Quality Control of [ 17-1500-79-1 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number17-1500-79-1
Catalog No.2A-9092077
SynonymsDalbavancin; BI-397; BI-397 factor B0; MDL-63397; V-Glycopeptide
Molecular FormulaC88H100Cl2N10O28
Molecular Weight1816.7142
Purity98
PubChem ID14768801
SMILESCN[C@H]1C(=O)N[C@@H]2Cc3ccc(Oc4cc5cc(Oc6ccc(cc6Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]5NC(=O)[C@@H](NC2=O)c8cc(Oc9cc1ccc9O)cc(O)c8Cl)c%10ccc(O)c(c%10)c%11c(O[C@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%12O)cc(O)cc%11[C@@H](NC7=O)C(=O)NCCCN(C)C)c4O[C@@H]%13O[C@@H]([C@@H](O)[C@H](O)[C@H]%13NC(=O)CCCCCCCCC(C)C)C(O)=O)cc3
InChIInChI=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 KeyInChIKey=KGPGQDLTDHGEGT-JCIKCJKQSA-N
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