CAS
899-02-7 Purity
96%
899-02-7 Purity
96%
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Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2
CAS
89911-65-9
Catalog Number
ACM89911659
Category
Other Products
Molecular Weight
923.04
Molecular Formula
C38H50N8O13S3
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Specification
Synonyms
Acetyl-[Tyr(SO3H)27]-Cholecystokinin fragment 26-31 Amide, AC1N5SK8, C2795_SIGMA, 3-acetamido-4-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid, 89911-65-9
IUPAC Name
3-acetamido-4-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid
SMILES
CC(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCSC)C(=O)N
InChI Key
CAZXCDOBKJYAJQ-UHFFFAOYSA-N
Exact Mass
922.26600
H-Bond Acceptor
15
H-Bond Donor
10
WGK Germany
3
What is the molecular formula of Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2?
The molecular formula is C38H50N8O13S3.
What is the molecular weight of Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2?
The molecular weight is 923.1 g/mol.
When was Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2 created?
Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2 was created on February 16, 2015.
What is the IUPAC name of Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2?
The IUPAC name is (3S)-3-acetamido-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid.
What is the InChIKey of Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2?
The InChIKey is CAZXCDOBKJYAJQ-QKUYTOGTSA-N.
What is the XLogP3 value of Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2?
The XLogP3 value is -0.3.
How many hydrogen bond donor counts are there in Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2?
There are 10 hydrogen bond donor counts.
What is the topological polar surface area of Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2?
The topological polar surface area is 393 Ų.
How many rotatable bond counts are there in Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2?
There are 26 rotatable bond counts.
How many heavy atoms are there in Acetyl-asp-tyr[so3h]-met-gly-trp-met-nh2?
There are 62 heavy atoms.
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