chempirical

Lymecycline

C29H38N4O10CAS 992-21-2602.64 g/mol

Open in Covalent MOL file
NHOONHNHH2NOHOOHOHOOHOOH
AlcoholAlkeneCarboxylic acidKetonePhenolPrimary amineSecondary amineTertiary amine

Properties

Molecular formula
C29H38N4O10
Molar mass
602.64 g/mol
Exact mass
602.2588 Da
logP
0.39Crippen estimate
Polar surface area
246.5 Ų
H-bond donors / acceptors
9 / 12
Rotatable bonds
10
Stereocentres
S, S, S, S, S, Sin SMILES atom order

Identifiers

CAS number
992-21-2
SMILES
CN(C)[C@@H]1C(O)=C(C(O)=NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12
InChIKey
AHEVKYYGXVEWNO-UEPZRUIBSA-N
InChI
InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34,36-37,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

25 names · show all
  • L-Lysine, N6-[[[[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenyl]carbonyl]amino]methyl]-
  • Lysine, N6-[[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido]methyl]-, L-
  • L-Lysine, N6-[[[[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenyl]carbonyl]amino]methyl]-, [4S-(4α,4aα,5aα,6β,12aα)]-
  • Lysine, N6-[[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido]methyl]-
  • N6-[[[[(4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenyl]carbonyl]amino]methyl]-L-lysine
  • Tetracyclinemethylenelysine
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, lysinemethylene deriv.
  • Tetracycline-L-methylenelysine
  • (+)-N-(5-Amino-5-carboxypentylaminomethyl)-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamide
  • N2-[[(+)-5-Amino-5-carboxypentylamino]methyl]tetracycline
  • Tetralysal
  • N6-[[4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido]methyl]lysine
  • N-Lysinomethyltetracycline
  • Armyl
  • Mucomycin
  • Tetralisal
  • Ciclolysal
  • Tetramyl
  • Vebicyclysal
  • Ciclisin
  • Ciclolysine
  • Infaciclina
  • Lisinbiotic
  • Lisinciclina
  • Tertamyl

Work with Lymecycline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(-)-Tetracycline60-54-864 % similar (-)-Tetracycline hydrochloride64-75-562 % similar Chlortetracycline57-62-551 % similar Chlortetracycline hydrochloride64-72-250 % similar Oxytetracycline79-57-249 % similar Oxytetracycline calcium7179-50-248 % similar Oxytetracycline hydrochloride2058-46-048 % similar Oxytetracycline dihydrate6153-64-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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