loading...| Preferred Name |
oritavancin |
|
| Synonyms |
LY333328 (4''R)-22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-N(3'')-((4'-chloro(1,1'-biphenyl)-4-yl)methyl)vancomycin (4''R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabinohexopyranosyl)-N3''-(p-(p-chlorophenyl)benzyl)vancomycin Chlorobiphenyl-chloroeremomycin |
|
| Definitions |
A semisynthetic glycopeptide used (as its bisphosphate salt) for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designated Gram-positive microorganisms including MRSA. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_82699 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:24449768 PMID:25118105 Reaxys:7608605 Wikipedia:Oritavancin PMID:24906505 PMID:23089749 PMID:25294250 PMID:24505091 CAS:171099-57-3 PMID:23759507 Drug_Central:4678 PMID:24035967 PMID:25022588 PMID:22941898 KEGG:C12034 PMID:25058176 PMID:24897083 PMID:25239268 PMID:23261897 PMID:25294303 PMID:24550323 |
|
| definition |
A semisynthetic glycopeptide used (as its bisphosphate salt) for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designated Gram-positive microorganisms including MRSA. |
|
| formula |
C86H97Cl3N10O26 |
|
| has functional parent | ||
| has role | ||
| has_alternative_id |
CHEBI:29553 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
LY333328 (4''R)-22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-N(3'')-((4'-chloro(1,1'-biphenyl)-4-yl)methyl)vancomycin (4''R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabinohexopyranosyl)-N3''-(p-(p-chlorophenyl)benzyl)vancomycin Chlorobiphenyl-chloroeremomycin |
|
| id |
CHEBI:82699 |
|
| in_subset | ||
| inchi |
InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117)/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-/m0/s1 |
|
| inchikey |
VHFGEBVPHAGQPI-LXKZPTCJSA-N |
|
| label |
oritavancin |
|
| mass |
1793.10100 |
|
| monoisotopicmass |
1790.56411 |
|
| notation |
CHEBI:82699 |
|
| prefLabel |
oritavancin |
|
| smiles |
CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(NCc3ccc(cc3)-c3ccc(Cl)cc3)[C@@H](O)[C@H](C)O1)c(Cl)c2 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_72588 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_72588 |