2D structurePubChem CID 25202115
Chemical identity
Ubenimex Isomer
CAS not listed · C16H24N2O4
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-41646 |
|---|---|
| PubChem CID | 25202115 |
| Name | Ubenimex Isomer |
| CAS RN | Not listed |
| Molecular formula | C16H24N2O4 |
| Molecular weight | 308.37 g/mol |
| IUPAC name | (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid |
| InChIKey | VGGGPCQERPFHOB-BFHYXJOUSA-N |
02Structure identifiers
2D structurePubChem CID 25202115
Structure facts for this exact identity.
| Molecular formula | C16H24N2O4 |
|---|---|
| InChIKey | VGGGPCQERPFHOB-BFHYXJOUSA-N |
| Ring count | 1 |
| Defined stereocentres | 3 |
| Unassigned stereocentres | 0 |
| SMILES | CC(C)C[C@H](C(=O)O)NC(=O)[C@@H]([C@H](CC1=CC=CC=C1)N)O |
|---|---|
| InChI | InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m0/s1 |
03Stereochemistry
The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.
Defined stereocentres32D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 42051898
![2D structure: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid](/structures/pubchem/42051898/no-cas-2s-2-2r-3s-3-amino-2-hydroxy-4-phenylbutanoyl-amino-4-methylpentanoic-acid-2d-structure-300.png)
(2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CAS Not listed
VGGGPCQERPFHOB-MELADBBJSA-N
3 defined, 0 unassigned centres
2D structurePubChem CID 72172
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 | No CAS number is available for an exact comparison. Generic and analogue entries were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | No CAS number is available for an exact comparison. 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
No parent compound is listed.
Other names
No synonyms are listed.
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 25202115
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.