(4R)-4-amino-5-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopent-4-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
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![(4R)-4-amino-5-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopent-4-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1c712cc57e9742ad81ef158fd8f64bcd.png "(4R)-4-amino-5-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopent-4-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid")
(4R)-4-amino-5-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopent-4-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
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CAS No:
136553-76-9
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Formula:
C32H44N6O7
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Chemical Name:
(4R)-4-amino-5-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopent-4-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
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Synonyms:
BQ 162;BQ-162;cyclo(D-Glu-L-Pro-D-Val-L-Leu-D-Trp-);cyclo(Glu-Pro-Val-Leu-Trp-);cyclo(glutamyl-prolyl-valyl-leucyl-tryptophyl);136553-76-9;BQ 162;Cyclo(glu-pro-val-leu-trp-);DTXSID10929475;BQ-162;Cyclo(glutamyl-prolyl-valyl-leucyl-tryptophyl);Cyclo(D-alpha-glutamyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl);4-Amino-5-{2-[hydroxy({1-hydroxy-1-[(1-hydroxy-1-{[1-(1H-indol-3-yl)-3-oxopropan-2-yl]imino}-4-methylpent-4-en-2-yl)imino]-3-methylbutan-2-yl}imino)methyl]pyrrolidin-1-yl}-5-oxopentanoic acid
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CAS No:
(4R)-4-amino-5-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopent-4-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Basic Attributes
624.7 g/mol
624.32714776 g/mol
Computed Properties
Molecular Weight:624.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:16
Exact Mass:624.32714776
Monoisotopic Mass:624.32714776
Topological Polar Surface Area:204
Heavy Atom Count:45
Complexity:1110
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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