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

MSDS COA Spec Sheet

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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

Canonical 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

H-Bond Donor

WGK Germany

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 Å².

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.