Chemical identity

Ethyl (S)-(2-benzyl-3-((methylsulfonyl)oxy)propanoyl)glycinate

CAS 1314751-85-3 · C15H21NO6S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-05720
PubChem CID56641823
NameEthyl (S)-(2-benzyl-3-((methylsulfonyl)oxy)propanoyl)glycinate
CAS RN1314751-85-3
Molecular formulaC15H21NO6S
Molecular weight343.4 g/mol
IUPAC nameEthyl (S)-(2-benzyl-3-((methylsulfonyl)oxy)propanoyl)glycinate
InChIKeyDXQVFSHKIICNIO-ZDUSSCGKSA-N

02Structure identifiers

2D structurePubChem CID 56641823
2D structure: Ethyl (S)-(2-benzyl-3-((methylsulfonyl)oxy)propanoyl)glycinate, CAS 1314751-85-3
Structure of Ethyl (S)-(2-benzyl-3-((methylsulfonyl)oxy)propanoyl)glycinate (CAS 1314751-85-3). LazyChem record. Source identity: PubChem CID 56641823. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC15H21NO6S
InChIKeyDXQVFSHKIICNIO-ZDUSSCGKSA-N
Ring count1
Defined stereocentres1
Unassigned stereocentres0
SMILESCCOC(=O)CNC(=O)[C@@H](CC1=CC=CC=C1)COS(=O)(=O)C
InChIInChI=1S/C15H21NO6S/c1-3-21-14(17)10-16-15(18)13(11-22-23(2,19)20)9-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,18)/t13-/m0/s1

03Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1314751-85-3 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1314751-85-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Alvimopan

View API and impurity family

Other names

  • Alvimopan Impurity 26/ Ethyl (S)-(2-benzyl-3-((methylsulfonyl)oxy)propanoyl)glycinate
  • Alvimopan Impurity 26
  • (S)-Ethyl 2-(2-benzyl-3-((methylsulfonyl)oxy)propanamido)acetate
  • Glycine, N-[(2S)-2-[[(methylsulfonyl)oxy]methyl]-1-oxo-3-phenylpropyl]-, ethyl ester
  • Alvimopan impurity 17
  • ETHYL 2-[(2S)-2-BENZYL-3-(METHANESULFONYLOXY)PROPANAMIDO]ACETATE

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources