KKI 8
2-[[2-[[2-[[2-[[2-[[2-(1-adamantyl)acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide
| Molecular Formula | C40H62N10O8 |
|---|---|
| Molecular Weight | 811.0 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 316.0 A2 |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Exact Mass | 810.4752 |
| Heavy Atoms | 58 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 113584-00-2 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3 |
| InChIKey | BSUVJINUSBYMEM-UHFFFAOYSA-N |
📖 Product Overview
KKI 8 (CAS: 113584-00-2) is a chemical compound with molecular formula C40H62N10O8 and molecular weight 811.0 g/mol. Its IUPAC systematic name is 2-[[2-[[2-[[2-[[2-[[2-(1-adamantyl)acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide.
BSUVJINUSBYMEM-UHFFFAOYSA-N.
SMILES: CC(C)C(C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3.
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