chempirical

Palmitoyl tripeptide-8

C37H61N9O4CAS 936544-53-5695.95 g/mol

Open in Covalent MOL file
ONHNNHONHONHNNH2H2NONH2
AmideGuanidine

Properties

Molecular formula
C37H61N9O4
Molar mass
695.95 g/mol
Exact mass
695.4847 Da
logP
3.67Crippen estimate
Polar surface area
223.5 Ų
H-bond donors / acceptors
7 / 6
Rotatable bonds
28
Stereocentres
S, R, 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
936544-53-5
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N
InChIKey
WBHUVOTYPRYBNG-QAXCHELISA-N
InChI
InChI=1S/C37H61N9O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-33(47)44-32(25-29-26-41-27-43-29)36(50)46-31(24-28-19-15-14-16-20-28)35(49)45-30(34(38)48)21-18-23-42-37(39)40/h14-16,19-20,26-27,30-32H,2-13,17-18,21-25H2,1H3,(H2,38,48)(H,41,43)(H,44,47)(H,45,49)(H,46,50)(H4,39,40,42)/t30-,31+,32-/m0/s1

Weigh it out

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

Work with Palmitoyl tripeptide-8

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

Melanotan-II121062-08-664 % similar Acetyl hexapeptide-1448944-47-663 % similar Bremelanotide189691-06-355 % similar Bremelanotide acetate1607799-13-253 % similar Pal-tripeptide-1147732-56-752 % similar Ipamorelin170851-70-452 % similar Met-glu-his-phe-arg-trp-gly4037-01-849 % similar Acetyl tetrapeptide-3827306-88-749 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook