Acetyl tetrapeptide-3

C22H39N9O5CAS 827306-88-7509.61 g/mol

Open in Covalent MOL file
OHNNH2OHNONHNHNONHH2NONH2
AmidePrimary amine

Properties

Molecular formula
C22H39N9O5
Molar mass
509.61 g/mol
Exact mass
509.3074 Da
logP
-2.71Crippen estimate
Polar surface area
240.2 Ų
H-bond donors / acceptors
8 / 8
Rotatable bonds
18
Stereocentres
S, S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
827306-88-7
SMILES
CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)N
InChIKey
RRJOMESUBQAYOA-BZSNNMDCSA-N
InChI
InChI=1S/C22H39N9O5/c1-14(32)29-17(7-3-5-9-24)21(35)27-12-19(33)30-18(10-15-11-26-13-28-15)22(36)31-16(20(25)34)6-2-4-8-23/h11,13,16-18H,2-10,12,23-24H2,1H3,(H2,25,34)(H,26,28)(H,27,35)(H,29,32)(H,30,33)(H,31,36)/t16-,17-,18-/m0/s1

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Work with Acetyl tetrapeptide-3

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

Pal-tripeptide-1147732-56-759 % similar Prezatide copper89030-95-555 % similar Prezatide copper acetate130120-57-954 % similar Ipamorelin170851-70-451 % similar Melanotan-II121062-08-649 % similar Palmitoyl tripeptide-8936544-53-549 % similar Acetyl tetrapeptide-5820959-17-947 % similar N-Acetylhistidine monohydrate39145-52-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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