Vancomycin, N3′′-[2-(decylamino)ethyl]-29-[[(phosphonomethyl)amino]methyl]-, hydrochloride (1:1)

CAS Registry Number®

560130-42-9

CAS Name

Vancomycin, N3′′-[2-(decylamino)ethyl]-29-[[(phosphonomethyl)amino]methyl]-, hydrochloride (1:1)

Molecular Formula

C80H106Cl2N11O27P.ClH

Cite this Page

Vancomycin, N3′′-[2-(decylamino)ethyl]-29-[[(phosphonomethyl)amino]methyl]-, hydrochloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=560130-42-9 (retrieved 2024-11-24) (CAS RN: 560130-42-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=GSSIWSIRBWAZHG-ACOPVEIWSA-N

SMILES

O(C=1C2=CC3=CC1OC=4C(Cl)=CC(=CC4)[C@@H](O)[C@@H](NC([C@@H](CC(C)C)NC)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]3(C(=O)N[C@@]5(C=6C=C(C=7C([C@@H](C(O)=O)NC(=O)[C@]([C@H](O)C=8C=C(Cl)C(O2)=CC8)(NC5=O)[H])=CC(O)=C(CNCP(=O)(O)O)C7O)C(O)=CC6)[H])[H])[C@H]9[C@H](O[C@H]%10C[C@@](NCCNCCCCCCCCCC)(C)[C@H](O)[C@H](C)O%10)[C@@H](O)[C@H](O)[C@@H](CO)O9.Cl

Canonical SMILES

Cl.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(OC5=CC3=CC(OC6=CC=C(C=C6Cl)C2O)=C5OC7OC(CO)C(O)C(O)C7OC8OC(C)C(O)C(NCCNCCCCCCCCCC)(C)C8)C(Cl)=C4)CC(=O)N)C9=CC=C(O)C(=C9)C%10=C(O)C(=C(O)C=C%101)CNCP(=O)(O)O

Other Names for this Substance

  • Vancomycin, N3′′-[2-(decylamino)ethyl]-29-[[(phosphonomethyl)amino]methyl]-, hydrochloride (1:1)
  • Vancomycin, N3′′-[2-(decylamino)ethyl]-29-[[(phosphonomethyl)amino]methyl]-, monohydrochloride
  • Telavancin hydrochloride
  • TD 6424

CAS INSIGHTSTM
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