Chemical Name: Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabinohexopyranosyl)-10,19-didechloro-, (4”R)- (9CI)
Smiles: OC1C(OC(OC(C)C2O)CC2(N)C)C(OC(CO)C1O)OC3=C(OC4=CC=C(C(C5NC(C(NC)CC(C)C)=O)O)C=C4)C=C(C(NC(C(NC5=O)CC(N)=O)=O)C(NC(C6=O)C7=CC8=C(O)C=C7)=O)C=C3OC9=CC=C(C(C(C(NC(C(O)=O)C%10=C8C(O)=CC(O)=C%10)=O)N6)OC(OC(C)C%11O)CC%11(N)C)C=C9
Inchi: InChI=1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/t27-,28-,38+,39-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1