Kki 8
Basic information
- CAS
113584-00-2- Standard SMILES
CC(C)C(NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1ccccc1)NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)NC(CCC(N)=O)C(N)=O- InChIKey
XHPQMZJZCSRLAT-KNJCVXCNSA-N- Molecular formula
- C40H62N10O8
- Average molar mass
- 811 g/mol
- Monoisotopic mass
- 810.47520897
Names & identifiers
- Preferred name
- Kki 8
- IUPAC
- 2-[[2-[[2-[[2-[[2-[[2-(1-adamantyl)acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide
- English name
- KKI 8
- Molecular formula
- C40H62N10O8
- Molecular weight
- 810.98
Names & synonyms
KKI 8KKI-8113584-00-2RefChem:1512932-[[2-[[2-[[2-[[2-[[2-(1-adamantyl)acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamideN-(Tricyclo(3.3.1.1(sup 3,7))dec-1-ylacetyl)-L-phenylalanyl-L-arginyl-L-seryl-L-valyl-L-glutamamideN-Adamantaneacetyl-phe-arg-ser-val-gln-NH2DTXSID009211202-[1-(Adamantan-1-yl)-4-benzyl-14-{[1,3-bis(imidic acid)propyl]imino}-7-(3-carbamimidamidopropyl)-2,5,8,11,14-pentahydroxy-10-(hydroxymethyl)-13-(propan-2-yl)-3,6,9,12-tetraazatetradeca-2,5,8,11-tetraen--yl]pentanediimidic acid2-{[14-(Adamantan-1-yl)-11-benzyl-8-[3-(carbamimidoylamino)propyl]-1,4,7,10,13-pentahydroxy-5-(hydroxymethyl)-2-(propan-2-yl)-3,6,9,12-tetraazatetradeca-3,6,9,12-tetraen-1-ylidene]amino}pentanediimidic acidL-Glutamamide, N-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylacetyl)-L-phenylalanyl-L-arginyl-L-seryl-L-valyl-L-Glutamamide, N-(tricyclo[3.3.1.13,7]dec-1-ylacetyl)-L-phenylalanyl-L-arginyl-L-seryl-L-valyl- (9CI)
Database identifiers
- CAS
113584-00-2- PubChem CID
- 64584
- DTXSID
DTXSID00921120
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 316 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 23
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,470
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