Chemical Compound

J1.643.796D

J1.643.796D chemical structure
Primary Record

J1.643.796D

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177486496
SMILES
CC1CC(OC(C1O)C)OC2C(OC(C(C2(NCC3=CC(=CC=C3)OCCC=CCCOC4=CC=CC(=C4)CNC5(CC(OC(C5O)C)OC6C(C(C(OC6OC7=C8C=C9C=C7OC1=C(C=C(C=C1)C(C(C(=O)NC(C(=O)NC9C(=O)NC1C2=CC(=C(C=C2)O)C2=C(C=C(C=C2O)O)C(NC(=O)C(C(C2=CC(=C(O8)C=C2)Cl)O)NC1=O)C(=O)C(=O)CN)CC(=O)N)NC(=O)C(CO)N)O)Cl)CO)O)O)C)O)O)CO)OC1=C2C=C3C=C1OC1=C(C=C(C=C1)C(C(C(=O)NC(C(=O)NC3C(=O)NC1C3=CC(=C(C=C3)O)C3=C(C=C(C=C3O)O)C(NC(=O)C(C(C3=CC(=C(O2)C=C3)Cl)O)NC1=O)C(=O)C(=O)CN)CC(=O)N)NC(=O)C(CO)N)O)Cl
Canonical SMILES
CC1CC(OC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C5NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(N)CO)C(O)c5ccc(c(Cl)c5)O4)c4ccc(O)c(c4)-c4c(O)cc(O)cc4C(C(=O)C(=O)CN)NC3=O)OC(CO)C(O)C2(O)NCc2cccc(OCCC=CCCOc3cccc(CNC4(C)CC(OC5C(Oc6c7cc8cc6Oc6ccc(cc6Cl)C(O)C6NC(=O)C(NC(=O)C8NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(N)CO)C(O)c8ccc(c(Cl)c8)O7)c7ccc(O)c(c7)-c7c(O)cc(O)cc7C(C(=O)C(=O)CN)NC6=O)OC(CO)C(O)C5O)OC(C)C4O)c3)c2)OC(C)C1O

Names & Synonyms

  • J1.643.796D
  • 2-amino-N-[40-(3-amino-2-oxopropanoyl)-48-({4-[({3-[(6-{3-[({6-[(2-{[40-(3-amino-2-oxopropanoyl)-19-(2-amino-3-hydroxypropanamido)-22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29,31,33(45),34,36,38,46,49-pentadecaen-48-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3-hydroxy-2,4-dimethyloxan-4-yl}amino)methyl]phenoxy}hex-3-en-1-yl)oxy]phenyl}methyl)amino]-4,5-dihydroxy-3-[(5-hydroxy-4,6-dimethyloxan-2-yl)oxy]-6-(hydroxymethyl)oxan-2-yl}oxy)-22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29,31,33(45),34,36,38,46,49-pentadecaen-19-yl]-3-hydroxypropanamide
  • 3 ,3 -[(3-Hexene-1,6-diyl)bisoxybis(3,1-phenylene)bismethylenebisimino]bis[26-(glycylcarbonyl)-49-(L-seryl)-3 -deamino-26-decarboxy-49-de(N-methyl-L-leucyl)vancomycin]