Kni 102
benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
| Molecular Formula | C31H41N5O7 |
|---|---|
| Molecular Weight | 595.7 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 180.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 595.3006 |
| Heavy Atoms | 43 |
| Complexity | 972.0 |
Chemical Identifiers
| CAS Number | 139694-65-8 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1CCCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | XCVUOCMQYKSJJR-IGRGDXOOSA-N |
📖 Product Overview
Kni 102 (CAS: 139694-65-8) is a chemical compound with molecular formula C31H41N5O7 and molecular weight 595.7 g/mol. Its IUPAC systematic name is benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate.
XCVUOCMQYKSJJR-IGRGDXOOSA-N.
SMILES: CC(C)(C)NC(=O)C1CCCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)OCC3=CC=CC=C3)O.
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