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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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 hydrochloride2058-46-048 % similar Oxytetracycline dihydrate6153-64-648 % similar Sancycline808-26-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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