Pal-tripeptide-1

C30H54N6O5CAS 147732-56-7578.80 g/mol

Open in Covalent MOL file
OHNONHNHNONHH2NOOH
AmideCarboxylic acidPrimary amine

Properties

Molecular formula
C30H54N6O5
Molar mass
578.80 g/mol
Exact mass
578.4156 Da
logP
3.73Crippen estimate
Polar surface area
179.3 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
26
Stereocentres
S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 36 ECHA notifiers. Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
147732-56-7
SMILES
CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)O
InChIKey
BYUQATUKPXLFLZ-UIOOFZCWSA-N
InChI
InChI=1S/C30H54N6O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27(37)33-22-28(38)35-26(20-24-21-32-23-34-24)29(39)36-25(30(40)41)17-15-16-19-31/h21,23,25-26H,2-20,22,31H2,1H3,(H,32,34)(H,33,37)(H,35,38)(H,36,39)(H,40,41)/t25-,26-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • Palmitoyl tripeptide-1

Work with Pal-tripeptide-1

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

Acetyl tetrapeptide-3827306-88-759 % similar Beta-alanylhistidine9001-99-455 % similar Palmitoyl lysyldioxymethionyllysine1447824-23-855 % similar Palmitoyl tetrapeptide-10887140-79-654 % similar Prezatide copper acetate130120-57-954 % similar Prezatide copper89030-95-553 % similar Palmitoyl tripeptide-8936544-53-552 % similar Acetyl tetrapeptide-5820959-17-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook