Identidade

CID 127255638

Não indicado · C35H49N3O4

01Identidade

Lazychem IDLC-35648
CAS RNNão indicado
PubChem CID127255638
Molecular formulaC35H49N3O4
Molecular weight575.8 g/mol
IUPAC name(1R,7S,10R,13R,14R)-7-[(3S,5S)-3,5-dihydroxy-2-methylcyclohexen-1-yl]-14-methyl-13-[(2R)-6-methylheptan-2-yl]-4-phenyl-2,4,6-triazatetracyclo[7.7.0.02,6.010,14]hexadec-8-ene-3,5-dione
InChIKeyPTIHYNIKYFVMFI-NMEOVDRUSA-N

02Estrutura e estereoquímica

2D structurePubChem CID 127255638
Two-dimensional chemical structure of CID 127255638
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCC1=C(C[C@@H](C[C@@H]1O)O)[C@@H]2C=C3[C@@H]4CC[C@@H]([C@]4(CC[C@H]3N5N2C(=O)N(C5=O)C6=CC=CC=C6)C)[C@H](C)CCCC(C)C
InChINão indicado

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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

Não indicado

Nomes e relações

    Impurezas e compostos relacionados

      06Fontes