Chemical Compound

Kedarcidin chromophore

CAS Registry Number 143591-04-2
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Kedarcidin chromophore chemical structure
Primary Record

Kedarcidin chromophore

In stock
7,689 g
Purity
99.2 %
CAS
143591-04-2

Compound Identifiers & Properties

CAS
143591-04-2
PubChem CID
6444256
SMILES
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]\2COC(=O)C[C@H](C3=NC(=C(C=C3)O[C@H]4C=C5C#C/C2=C\C#C[C@H]6[C@]5([C@@H]4O[C@H]7C[C@@]([C@H]([C@@H](O7)C)O)(C)O)O6)Cl)NC(=O)C8=C(C=C9C=C(C(=C(C9=C8)OC)OC)OC(C)C)O)O)N(C)C
Canonical SMILES
COc1c(OC(C)C)cc2cc(O)c(C(=O)N[C@@H]3CC(=O)OC[C@@H](O[C@H]4C[C@H](O)[C@H](N(C)C)[C@H](C)O4)/C4=C/C#C[C@@H]5O[C@]56C(=C[C@H](Oc5ccc3nc5Cl)[C@H]6O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)C#C4)cc2c1OC

Names & Synonyms

  • Kedarcidin chromophore
  • SCHEMBL29371608
  • CID6444256
  • J1.493.129E
  • J1.609.753E
  • 143591-04-2
  • (1S,7R,12S,17S,18R,19R)-17,18-Epoxy-4-chloro-7-[(6-hydroxy-3-isopropoxy-1,2-dimethoxy-7-naphthyl)carbonylamino]-19-(3-C-methyl-2,6-dideoxy-alpha-L-ribo-hexopyranosyloxy)-12-[4-(dimethylamino)-2,4,6-trideoxy-alpha-L-lyxo-hexopyranosyloxy]-2,10-dioxa-5-azatetracyclo[11.6.4.23,6.018,21]pentacosane-3,5,13,20,24-pentaene-15,22-diyne-9-one
  • (3S,9E)-3beta,5,10-(1-Butene-3-yne-1,2,4-triyl)-4beta-(3-C-methyl-2,6-dideoxy-alpha-L-ribo-hexopyranosyloxy)-5alpha,6beta-epoxy-11alpha-[4-(dimethylamino)-2,4,6-trideoxy-alpha-L-lyxo-hexopyranosyloxy]-16beta-(3-hydroxy-7,8-dimethoxy-6-isopropoxy-2-naphthylcarbonylamino)-19-chloro-2,13-dioxa-18-aza-bicyclo[15.2.2]henicosane-1(19),9,17,20-tetraene-7-yne-14-one
  • 2-Naphthalenecarboxamide, N-(13-chloro-2,3,6,7-tetradehydro-10-((2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)oxy)-1a,9-dihydro-20-oxo-23-((2,4,6-trideoxy-4-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-9,5-(epoxy(5,2)pyridinopropanoxyethano)-10H-cyclopenta(1,9)cyclonon(1,2-b)oxiren-19-yl)-3-hydroxy-7,8-dimethoxy-6-(1-methylethoxy)-
  • N-[(3S,4R,5R,6S,9E,11S,16R)-19-Chloro-5,6-epoxy-4-[(3-C-methyl-2,6-dideoxy-alpha-L-ribo-hexopyranosyl)oxy]-14-oxo-11-[[4-(dimethylamino)-2,4,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-3,5,10-(1-butene-3-yne-1,2,4-triyl)-2,13-dioxa-18-aza-bicyclo[15.2.2]henicosane-1(19),9,17,20-tetrene-7-yne-16-yl]-3-hydroxy-7,8-dimethoxy-6-isopropoxy-2-naphthalenecarboxamide
  • N-[(3S,9R,14S,15E,19S,21R,24R)-6-chloro-24-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-14-[(2S,4S,5S,6S)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-11-oxo-4,12,20-trioxa-7-azapentacyclo[13.6.2.25,8.13,21.019,21]hexacosa-1,5,7,15,25-pentaen-17,22-diyn-9-yl]-3-hydroxy-7,8-dimethoxy-6-propan-2-yloxynaphthalene-2-carboxamide
  • N-[(3S,9R,14S,15E,19S,21R,24R)-6-chloro-24-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-14-{[(2S,4S,5S,6S)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy}-11-oxo-4,12,20-trioxa-7-azapentacyclo[13.6.2.25,8.13,21.019,21]hexacosa-1,5(26),6,8(25),15-pentaen-17,22-diyn-9-yl]-3-hydroxy-7,8-dimethoxy-6-(propan-2-yloxy)naphthalene-2-carboxamide
  • N-[(3S,9R,14S,19S,21R,24R)-6-chloro-24-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-14-{[(2S,4S,5S,6S)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy}-11-oxo-4,12,20-trioxa-7-azapentacyclo[13.6.2.25,8.13,21.019,21]hexacosa-1,5(26),6,8(25),15-pentaen-17,22-diyn-9-yl]-3-hydroxy-7,8-dimethoxy-6-(propan-2-yloxy)naphthalene-2-carboxamide