2D structurePubChem CID 726987
Chemical identity
Carbobenzyloxy-L-valine
CAS 1149-26-4 · C13H17NO4
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-09466 |
|---|---|
| PubChem CID | 726987 |
| Name | Carbobenzyloxy-L-valine |
| CAS RN | 1149-26-4 |
| Molecular formula | C13H17NO4 |
| Molecular weight | 251.28 g/mol |
| IUPAC name | N-[(Phenylmethoxy)carbonyl]-L-valine |
| InChIKey | CANZBRDGRHNSGZ-NSHDSACASA-N |
02Structure identifiers
2D structurePubChem CID 726987
Structure facts for this exact identity.
| Molecular formula | C13H17NO4 |
|---|---|
| InChIKey | CANZBRDGRHNSGZ-NSHDSACASA-N |
| Ring count | 1 |
| Defined stereocentres | 1 |
| Unassigned stereocentres | 0 |
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1 |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/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
3 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 712434
N-alpha-Benzyloxycarbonyl-D-valine
CAS Not listed
CANZBRDGRHNSGZ-LLVKDONJSA-N
1 defined, 0 unassigned centres
2D structurePubChem CID 97743
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 / RCS | NOT FOUND IN REVIEWED ENTRIES | CAS 1149-26-4 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | CAS 1149-26-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · source version 1985-09-16
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · source version 2026-03-11
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · source version 2024-09-02
05Names and relationships
Associated parent compound
Valine
View associated product familyOther names
- (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
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
- S01PubChem compound record, CID 726987
Names and machine-readable chemical identity properties.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
- S03Narcotic Drugs and Psychotropic Substances Act, 1985, Schedule
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S04Controlled-substances notifications and amendments
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S05Appendix 3, SCOMET List
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.