9-benzyl-15-butan-2-yl-6-methyl-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
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![9-benzyl-15-butan-2-yl-6-methyl-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0176e620fd1c49dea7ffd9a57821a0e1.png "9-benzyl-15-butan-2-yl-6-methyl-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone")
9-benzyl-15-butan-2-yl-6-methyl-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
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CAS No:
126594-35-2
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Formula:
C30H44N6O6
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Chemical Name:
9-benzyl-15-butan-2-yl-6-methyl-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
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Synonyms:
Cleromyrine I;NSC626092;Cyclo(L-Ala-Gly-L-Pro-L-Ile-L-Val-L-Phe);CHEMBL1979266;126594-35-2;NSC-626092;NCI60_008241;9-benzyl-12-isopropyl-6-methyl-15-sec-butyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone;9-Benzyl-3-sec-butyl-6-isopropyl-12-methyltetradecahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecine-1,4,7,10,13,16-hexone
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CAS No:
9-benzyl-15-butan-2-yl-6-methyl-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone Basic Attributes
584.7 g/mol
584.33223314 g/mol
626092
DTXSID30276736
Computed Properties
Molecular Weight:584.7
XLogP3:2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:584.33223314
Monoisotopic Mass:584.33223314
Topological Polar Surface Area:166
Heavy Atom Count:42
Complexity:1010
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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