(4S)-4-amino-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)acetyl]amino]-3-formyl-1-[(2-methyliminoacetyl)amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadecanoic acid
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![(4S)-4-amino-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)acetyl]amino]-3-formyl-1-[(2-methyliminoacetyl)amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadecanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/79d46cbb0e5c47bb86b208feb2f8c4de.png "(4S)-4-amino-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)acetyl]amino]-3-formyl-1-[(2-methyliminoacetyl)amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadecanoic acid")
(4S)-4-amino-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)acetyl]amino]-3-formyl-1-[(2-methyliminoacetyl)amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadecanoic acid
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CAS No:
67319-72-6
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Formula:
C44H76N8O12
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Chemical Name:
(4S)-4-amino-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)acetyl]amino]-3-formyl-1-[(2-methyliminoacetyl)amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadecanoic acid
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Synonyms:
cyclo(di(Glu-Sar-Gly-(N-decyl)-Gly));DECYL-2;Decyl-2;Cyclo(di(glu-sar-gly-(N-decyl)-gly));67319-72-6;(4S)-4-amino-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)acetyl]amino]-3-formyl-1-[(2-methyliminoacetyl)amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadecanoic acid;Cyclic(L-alpha-glutamyl-N-methylglycylglycyl-N-decylglycyl-L-alpha-glutamyl-N-methylglycylglycyl-N-decylglycyl)
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CAS No:
(4S)-4-amino-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)acetyl]amino]-3-formyl-1-[(2-methyliminoacetyl)amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadecanoic acid Basic Attributes
909.1 g/mol
908.55826989 g/mol
Computed Properties
Molecular Weight:909.1
XLogP3:-0.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:41
Exact Mass:908.55826989
Monoisotopic Mass:908.55826989
Topological Polar Surface Area:313
Heavy Atom Count:64
Complexity:1530
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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