CAS: 192564-14-0 - Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-<span class="text-smallcaps">L</span>-arabino-hexopyranosyl)-N<sup>3′′</sup>-[(4′-chloro[1,1′-biphenyl]-4-yl)methyl]-, (4′′R)-, phosphate (1:2)
Formule :C86H97Cl3N10O26.2H3O4P
InChI :InChI=1S/C86H97Cl3N10O26.H3O4P/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114;1-5(2,3)4/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117);(H3,1,2,3,4)/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-;/m0./s1
Code InChI :InChIKey=NIQCDURSAMXDNX-OTLIHLCASA-N
SMILES :O=C(O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(NC(=O)C(NC(=O)C(NC)CC(C)C)C(O)C4=CC=C(OC=5C=C3C=C(OC6=CC=C(C=C6Cl)C2OC7OC(C)C(O)C(N)(C)C7)C5OC8OC(CO)C(O)C(O)C8OC9OC(C)C(O)C(NCC%10=CC=C(C=C%10)C%11=CC=C(Cl)C=C%11)(C)C9)C(Cl)=C4)CC(=O)N)C%12=CC=C(O)C(=C%12)C%13=C(O)C=C(O)C=C%131.O=P(O)(O)O