Telavancin HCl（CAS号：560130-42-9）

ClC1C=C2[C@H]([C@H]3C(N[C@H](C(=O)O)C4C=C(C(CNCP(=O)(O)O)=C(C=4C4=C(C=CC(=C4)[C@H](C(N3)=O)NC([C@H]3C4=CC(=C(C(=C4)OC=1C=C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O[C@H]1C[C@@](C)([C@@H]([C@H](C)O1)O)NCCNCCCCCCCCCC)OC1C=CC([C@H]([C@H](C(N[C@@H](CC(N)=O)C(N3)=O)=O)NC([C@@H](CC(C)C)NC)=O)O)=CC=1Cl)=O)O)O)O)=O)O.Cl

InChI

1S/C80H106Cl2N11O27P.ClH/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39;/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114);1H/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-;/m0./s1

InChIKey

GSSIWSIRBWAZHG-ACOPVEIWSA-N

LogP

3.1140000000000123

拓扑极性表面积

598.0899999999999 Ų

氢键供体/受体

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