Identidade

(RS6) N-methylvancomycin B

CAS 99759-13-4 · C67H77Cl2N9O24

01Identidade

Lazychem IDLC-00719
CAS RN99759-13-4
PubChem CID171371558
Molecular formulaC67H77Cl2N9O24
Molecular weight1461.45 g/mol
IUPAC nameN-Methylvancomycin B
InChIKeyDZUAJHOQOXRHMW-GEKQHEBUSA-N

02Estrutura e estereoquímica

2D structurePubChem CID 171371558
Two-dimensional chemical structure of (RS6) N-methylvancomycin B, CAS 99759-13-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 12 rings, includes aromatic atoms, includes aliphatic carbon, has 14 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres14
Ring count12
Secondary amines0
Tertiary amines1
SMILESC[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@H]2[C@@H](OC(C(C2O)O)CO)OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)N(C)C)O)Cl)(C)N)O
InChINão indicado

03Stereochemistry

The published structure contains 14 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres14Structure assigned
Unassigned centres4Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 262,144Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Estado na Índia

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nomes e relações

API e fármaco de origem

vancomycin

Impurezas e compostos relacionados

Nomes e relações

  • N-Methylvancomycin B
  • N-Methylvancomycin
  • 99759-13-4
  • 56-methyl-vanomycin
  • 22H-8,11:18,21-Dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine, vancomycin derivative
  • 56-Methylvancomycin
  • Antibiotic M 43D

Impurezas e compostos relacionados

06Fontes