Identitet

Vancomycin B-26-methylester

CAS 250273-66-6 · C67H77Cl2N9O24

01Identitet

Lazychem IDLC-30553
CAS RN250273-66-6
PubChem CID90664244
Molecular formulaC67H77Cl2N9O24
Molecular weight1461.45 g/mol
IUPAC nameVancomycin Methyl Ester
InChIKeyDEHRLQFJHJGOCL-MOCCSWDBSA-N

02Struktur og stereokemi

2D structurePubChem CID 90664244
Two-dimensional chemical structure of Vancomycin B-26-methylester, CAS 250273-66-6
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 18 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres18
Ring count12
Secondary amines1
Tertiary amines0
SMILESC[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=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)OC)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O
InChIIkke angivet

03Stereochemistry

The published structure contains 18 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres18Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully 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.

04Status i Indien

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

05Navne og relationer

API og moderlægemiddel

Vancomycin

Urenheder og beslægtede forbindelser

Navne og relationer

  • Vancomycin methyl ester
  • 250273-66-6
  • Vancomycin impurity 17
  • CHEMBL3215495

Urenheder og beslægtede forbindelser

06Kilder