chempirical

Acetyl hexapeptide-1

C43H59N13O7CAS 448944-47-6870.03 g/mol

Open in Covalent MOL file
ONHONHNNHONHONHNNH2H2NONHNHONH2NHO
AmideGuanidine

Properties

Molecular formula
C43H59N13O7
Molar mass
870.03 g/mol
Exact mass
869.4660 Da
logP
-0.40Crippen estimate
Polar surface area
326.6 Ų
H-bond donors / acceptors
11 / 9
Rotatable bonds
25
Stereocentres
S, S, S, R, 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
448944-47-6
SMILES
CCCC[C@@H](C(=O)N[C@@H](C)C(=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[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)C
InChIKey
WPIQUSRULDNCKM-IFSWANACSA-N
InChI
InChI=1S/C43H59N13O7/c1-4-5-15-32(52-26(3)57)39(60)51-25(2)38(59)55-36(21-29-23-47-24-50-29)42(63)56-35(19-27-12-7-6-8-13-27)41(62)53-33(17-11-18-48-43(45)46)40(61)54-34(37(44)58)20-28-22-49-31-16-10-9-14-30(28)31/h6-10,12-14,16,22-25,32-36,49H,4-5,11,15,17-21H2,1-3H3,(H2,44,58)(H,47,50)(H,51,60)(H,52,57)(H,53,62)(H,54,61)(H,55,59)(H,56,63)(H4,45,46,48)/t25-,32-,33-,34-,35+,36-/m0/s1

Weigh it out

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

Work with Acetyl hexapeptide-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

Melanotan-II121062-08-680 % similar Bremelanotide189691-06-372 % similar Bremelanotide acetate1607799-13-269 % similar Palmitoyl tripeptide-8936544-53-563 % similar Examorelin140703-51-159 % similar Met-glu-his-phe-arg-trp-gly4037-01-857 % similar Enfuvirtide159519-65-052 % similar Leuprorelin53714-56-051 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook