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Chemical structure of Telavancin hydrochloride

GC71503

Telavancin hydrochloride

Also known as (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(phosphonomethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;hydrochloride

Telavancin hydrochloride is the hydrochloride form of Telavancin

ChemicalCAS560130-42-9MW1792.1FormulaC80H107Cl3N11O27P
CAS number
560130-42-9
Molecular weight
1792.1
Formula
C80H107Cl3N11O27P
InChIKey
GSSIWSIRBWAZHG-ACOPVEIWSA-N
Catalogue number
GC71503
Brand
GLPBIO
Computed properties PubChem CID 9812715 · TPSA 598 Ų · H-bond donors 24 · H-bond acceptors 31
TPSA
598 Ų
H-bond donors
24
H-bond acceptors
31
Rotatable bonds
30
Heavy atoms
122

SMILES CCCCCCCCCCNCCN[C@]1(C[C@@H](O[C@H]([C@H]1O)C)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C(=C(C=C9[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)CNCP(=O)(O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)C.Cl

Computed descriptors from PubChem (CID 9812715), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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