Identiteet

Ritonavir (3R)-hydroxy epimer

Pole loetletud · C37H48N6O5S2

01Identiteet

Lazychem IDLC-37775
CAS RNPole loetletud
PubChem CID72942039
Molecular formulaC37H48N6O5S2
Molecular weight720.9 g/mol
IUPAC name1,3-thiazol-5-ylmethyl N-[(2S,3R,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
InChIKeyNCDNCNXCDXHOMX-RACJEYCXSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 72942039
Two-dimensional chemical structure of Ritonavir (3R)-hydroxy epimer
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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count4
Secondary amines0
Tertiary amines0
SMILESCC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
InChIPole loetletud

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

5 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.

04Staatus Indias

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

05Nimed ja seosed

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