(3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-9-butan-2-yl-3-[(4-hydroxyphenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
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![(3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-9-butan-2-yl-3-[(4-hydroxyphenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5f0882d5d8e54ca6a139e85d456ee10f.png "(3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-9-butan-2-yl-3-[(4-hydroxyphenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone")
(3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-9-butan-2-yl-3-[(4-hydroxyphenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
structure -
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CAS No:
99764-53-1
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Formula:
C34H47N7O7
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Chemical Name:
(3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-9-butan-2-yl-3-[(4-hydroxyphenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
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Synonyms:
cyclo(Lys-Tyr-Gly-Gly-Phe-Leu);cyclo(lysyl-tyrosyl-glycyl-glycyl-phenylalanyl-leucyl);99764-53-1;Cyclo(lys-tyr-gly-gly-phe-leu);Cyclo(lysyl-tyrosyl-glycyl-glycyl-phenylalanyl-leucyl);DTXSID00912492;6-(4-Aminobutyl)-12-benzyl-9-(butan-2-yl)-3-[(4-hydroxyphenyl)methyl]-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol
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CAS No:
(3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-9-butan-2-yl-3-[(4-hydroxyphenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Basic Attributes
665.8 g/mol
665.35369686 g/mol
Computed Properties
Molecular Weight:665.8
XLogP3:1.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:665.35369686
Monoisotopic Mass:665.35369686
Topological Polar Surface Area:221
Heavy Atom Count:48
Complexity:1090
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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