2D structurePubChem CID 450097
Identità
Caloxetic acid
Mhux elenkat · C23H33N3O11
01Identità
| Lazychem ID | LC-50861 |
|---|---|
| CAS RN | Mhux elenkat |
| PubChem CID | 450097 |
| Molecular formula | C23H33N3O11 |
| Molecular weight | 527.5 g/mol |
| IUPAC name | 2-[[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid |
| InChIKey | AQOXEJNYXXLRQQ-UHFFFAOYSA-N |
02Struttura u stereokimika
2D structurePubChem CID 450097
The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 1 |
| Secondary amines | 0 |
| Tertiary amines | 3 |
| SMILES | CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
|---|---|
| InChI | Mhux elenkat |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
2 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 219085
N-((2S)-2-(Bis(carboxymethyl)amino)-3-(4-ethoxyphenyl)propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycine
CAS not listed
AQOXEJNYXXLRQQ-KRWDZBQOSA-N
1 defined, 0 unassigned centres
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 fl-Indja
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ismijiet u relazzjonijiet
API u mediċina prinċipali
Mhux elenkat
Ismijiet u relazzjonijiet
06Sorsi
- S01PubChem CID 450097
Structure and machine-readable chemical identifiers.