Acetyl tetrapeptide-9

C₂₂H₃₃N₇O₉CAS 928006-50-2539.55 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₂₂H₃₃N₇O₉
Molar mass: 539.55 g/mol
Exact mass: 539.2340 Da
logP: -2.61Crippen estimate
Polar surface area: 262.8 Å²
H-bond donors / acceptors: 8 / 8
Rotatable bonds: 16
Stereocentres: S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

928006-50-2

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)C

InChIKey

QNZANUZIBYJBIN-XSWJXKHESA-N

InChI

InChI=1S/C22H33N7O9/c1-10(2)18(21(36)28-15(22(37)38)6-12-8-24-9-25-12)29-20(35)14(7-17(32)33)27-19(34)13(26-11(3)30)4-5-16(23)31/h8-10,13-15,18H,4-7H2,1-3H3,(H2,23,31)(H,24,25)(H,26,30)(H,27,34)(H,28,36)(H,29,35)(H,32,33)(H,37,38)/t13-,14-,15-,18-/m0/s1

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Work with Acetyl tetrapeptide-9

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Acetylhistidine monohydrate39145-52-354 % similar Acetyl tetrapeptide-5820959-17-949 % similar Tb500885340-08-947 % similar Angiotensin ii4474-91-346 % similar Thymopentin69558-55-045 % similar Asp-arg-val-tyr-ile-his-pro-phe acetate salt68521-88-045 % similar Katacalcin85916-47-844 % similar Beta-alanylhistidine9001-99-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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