chempirical

Acetyl tetrapeptide-5

C20H28N8O7CAS 820959-17-9492.49 g/mol

Open in Covalent MOL file
ONHOHNNHNONHOHOHNNHNOHO
AlcoholAmideCarboxylic acid

Properties

Molecular formula
C20H28N8O7
Molar mass
492.49 g/mol
Exact mass
492.2081 Da
logP
-3.02Crippen estimate
Polar surface area
231.3 Ų
H-bond donors / acceptors
8 / 8
Rotatable bonds
14
Stereocentres
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
820959-17-9
SMILES
CC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=CN2)C(=O)O
InChIKey
ROTFCACGLKOUGI-JYJNAYRXSA-N
InChI
InChI=1S/C20H28N8O7/c1-11(30)23-3-2-17(31)26-14(4-12-6-21-9-24-12)18(32)28-16(8-29)19(33)27-15(20(34)35)5-13-7-22-10-25-13/h6-7,9-10,14-16,29H,2-5,8H2,1H3,(H,21,24)(H,22,25)(H,23,30)(H,26,31)(H,27,33)(H,28,32)(H,34,35)/t14-,15-,16-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Acetyl tetrapeptide-5

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 monohydrate39145-52-358 % similar Beta-alanylhistidine9001-99-457 % similar Pal-tripeptide-1147732-56-751 % similar Acetyl tetrapeptide-3827306-88-747 % similar Boc-D-his-oh50654-94-946 % similar Z-D-His-oh67424-93-544 % similar Fmoc-his-oh116611-64-443 % similar Prezatide copper acetate130120-57-942 % similar

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

Elsewhere

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