2-[[2-[[2-[[2-[[2-[[2-(1-adamantyl)acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide
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![2-[[2-[[2-[[2-[[2-[[2-(1-adamantyl)acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/74bcbb5b59fd42278e140bb3886af911.png "2-[[2-[[2-[[2-[[2-[[2-(1-adamantyl)acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide")
2-[[2-[[2-[[2-[[2-[[2-(1-adamantyl)acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide
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CAS No:
113584-00-2
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Formula:
C40H62N10O8
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Chemical Name:
2-[[2-[[2-[[2-[[2-[[2-(1-adamantyl)acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide
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Synonyms:
KKI 8;KKI-8;N-adamantaneacetyl-Phe-Arg-Ser-Val-Gln-NH2;113584-00-2;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;KKI-8;ACMC-20mil2;N-Adamantaneacetyl-phe-arg-ser-val-gln-NH2;DTXSID00921120;N-(Tricyclo(3.3.1.1(sup 3,7))dec-1-ylacetyl)-L-phenylalanyl-L-arginyl-L-seryl-L-valyl-L-glutamamide;2-[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-tetra;L-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)
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CAS No:
2-[[2-[[2-[[2-[[2-[[2-(1-adamantyl)acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide Basic Attributes
811.0 g/mol
810.47520897 g/mol
Computed Properties
Molecular Weight:811.0
XLogP3:0.4
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:23
Exact Mass:810.47520897
Monoisotopic Mass:810.47520897
Topological Polar Surface Area:316
Heavy Atom Count:58
Complexity:1470
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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