ORITAVANCIN ,171099-57-3 _Chemical Cloud Database

ORITAVANCIN

Basic Information
Product Name：	ORITAVANCIN
CAS：	171099-57-3
English Synonyms：	ORITAVANCIN
MDL Number.：	MFCD09837768
H bond acceptor：	36
H bond donor：	20
Smile：	C[C@H]1[C@@H]([C@@](CO[C@@H]1O[C@@H]2c3ccc(c(c3)Cl)Oc4cc5cc(c4O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7C[C@]([C@H]([C@@H](O7)C)O)(C)NCc8ccc(cc8)c9ccc(cc9)Cl)Oc1ccc(cc1Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]1c3ccc(c(c3)-c3c(cc(cc3O)O)[C@H](NC(=O)[C@H]2NC1=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)(C)N)O
InChi：	InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)76(110)98-66-68(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(72(57)125-84-73(70(107)69(106)59(33-100)122-84)123-61-31-86(6,75(109)37(4)119-61)93-32-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)71(124-83-36(3)74(108)85(5,91)34-118-83)67-81(115)97-65(82(116)117)48-28-46(101)29-54(103)62(48)47-23-41(14-19-53(47)102)63(78(112)99-67)96-79(113)64(44)95-77(111)52(30-60(90)104)94-80(66)114/h8-21,23-29,35-37,51-52,59,61,63-71,73-75,83-84,92-93,100-103,105-109H,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)/t36-,37-,51+,52-,59+,61-,63+,64+,65-,66+,67-,68+,69+,70-,71+,73+,74-,75-,83+,84-,85-,86-/m0/s1
InChiKey：	InChIKey=ISHJBDGWJAUAIV-ZOUDXRBESA-N

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