(2S,5S,11S,14S,24S)-24-amino-2,5-dibenzyl-11-butan-2-yl-14-(2-methylsulfanylethyl)-1,4,7,10,13,16,20-heptazacyclopentacosane-3,6,9,12,15,21,25-heptone
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(2S,5S,11S,14S,24S)-24-amino-2,5-dibenzyl-11-butan-2-yl-14-(2-methylsulfanylethyl)-1,4,7,10,13,16,20-heptazacyclopentacosane-3,6,9,12,15,21,25-heptone
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CAS No:
102334-63-4
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Formula:
C39H56N8O7S
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Chemical Name:
(2S,5S,11S,14S,24S)-24-amino-2,5-dibenzyl-11-butan-2-yl-14-(2-methylsulfanylethyl)-1,4,7,10,13,16,20-heptazacyclopentacosane-3,6,9,12,15,21,25-heptone
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Synonyms:
cyclo(H-Glu-Phe-Gly-Leu-Met-NH(CH2)3-NH-)-substance P;SP C(GPPGLMN);substance P, cyclo(H-Glu-Phe-Phe-Gly-Leu-Met-NH(CH2)3-NH-);substance P, cyclo(H-glutamyl-phenylalanyl-phenylalanyl-glycyl-leucyl-methionine propylene diamine);102334-63-4;SP C(Gppglmn);Substance P, cyclo(H-glu-phe-phe-gly-leu-met-NH(CH2)3-NH-);Cyclo(H-glu-phe-gly-leu-met-NH(CH2)3-NH-)-substance P;DTXSID70907370;Substance P, cyclo(H-glutamyl-phenylalanyl-phenylalanyl-glycyl-leucyl-methionine propylene diamine);24-Amino-2,5-dibenzyl-11-(butan-2-yl)-14-[2-(methylsulfanyl)ethyl]-1,4,7,10,13,16,20-heptaazacyclopentacosa-3,6,9,12,15,20,25-heptaene-3,6,9,12,15,21,25-heptol
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CAS No:
(2S,5S,11S,14S,24S)-24-amino-2,5-dibenzyl-11-butan-2-yl-14-(2-methylsulfanylethyl)-1,4,7,10,13,16,20-heptazacyclopentacosane-3,6,9,12,15,21,25-heptone Basic Attributes
781.0 g/mol
780.39926733 g/mol
Computed Properties
Molecular Weight:781.0
XLogP3:1.9
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:780.39926733
Monoisotopic Mass:780.39926733
Topological Polar Surface Area:255
Heavy Atom Count:55
Complexity:1280
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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