Идентичност

H40087

CAS 1429504-48-2 · C31H30N2O8

01Идентичност

Lazychem IDLC-11975
CAS RN1429504-48-2
PubChem CID102205728
Molecular formulaC31H30N2O8
Molecular weight558.59 g/mol
IUPAC name(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2-(N-(tert-butoxycarbonyl)formamido)phenyl)-4-oxobutanoic acid
InChIKeyDYKDQJGTAYUDIW-VWLOTQADSA-N

02Структура и стереохимия

2D structurePubChem CID 102205728
Two-dimensional chemical structure of H40087, CAS 1429504-48-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count4
Secondary amines0
Tertiary amines0
SMILESCC(C)(C)OC(=O)N(C=O)C1=CC=CC=C1C(=O)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIНе е посочено

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

04Статус в Индия

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

05Имена и връзки

API и изходно лекарство

Daptomycin

Примеси и сродни съединения

Имена и връзки

  • Daptomycin Impurity 27
  • (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(2-(N-(tert-butoxycarbonyl)formamido)phenyl)-4-oxobutanoic acid
  • 1429504-48-2
  • H40087

Примеси и сродни съединения

06Източници