Chemical identity
CAS 159857-80-4 · C28H40N6O7
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-03613 |
|---|---|
| PubChem CID | 57544445 |
| Name | 6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[(S)-1-[[(S)-1-[[4-(hydroxymethyl)phenyl]amino]-1-oxo-5-ureidopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide |
| CAS RN | 159857-80-4 |
| Molecular formula | C28H40N6O7 |
| Molecular weight | 572.66 g/mol |
| IUPAC name | 6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[(S)-1-[[(S)-1-[[4-(hydroxymethyl)phenyl]amino]-1-oxo-5-ureidopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide |
| InChIKey | AMKBTTRWLGVRER-OFVILXPXSA-N |
![Two-dimensional chemical structure of 6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[(S)-1-[[(S)-1-[[4-(hydroxymethyl)phenyl]amino]-1-oxo-5-ureidopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide, CAS 159857-80-4](/structures/pubchem/57544445-900.png)
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Unassigned stereocentres | 0 |
| Ring count | 2 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| N-methyl amine sites | 0 |
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCCCCN2C(=O)C=CC2=O |
|---|---|
| InChI | Not listed |
| Formula from structure | C28H40N6O7 |
| Molecular weight from structure | 572.66 g/mol |
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
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.
![Two-dimensional chemical structure of 6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[(S)-1-[[(S)-1-[[4-(hydroxymethyl)phenyl]amino]-1-oxo-5-ureidopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide, CAS 159857-80-4](/structures/pubchem/57544445-300.png)
CAS 159857-80-4
AMKBTTRWLGVRER-OFVILXPXSA-N
Current configuration
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
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.
These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.
| NDPS / RCS | NO EXACT MATCH FOUND | CAS 159857-80-4 has no exact match in the reviewed published schedule. |
|---|---|---|
| SCOMET | NO EXACT REVIEWED CAS MATCH | CAS 159857-80-4 has no exact match in the reviewed SCOMET list. |
| Review date | 2026-08-01 | Recheck the current official instruments for the material, concentration, activity and date in question. |
Chemical
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Names and machine-readable chemical identity properties.
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Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
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