chempirical

Ipamorelin

C38H49N9O5CAS 170851-70-4711.87 g/mol

Open in Covalent MOL file
ONHNNHOHNONHOHNNH2OH2NH2N
AmidePrimary amine

Properties

Molecular formula
C38H49N9O5
Molar mass
711.87 g/mol
Exact mass
711.3857 Da
logP
0.88Crippen estimate
Polar surface area
240.2 Ų
H-bond donors / acceptors
8 / 8
Rotatable bonds
19
Stereocentres
S, R, R, Sin SMILES atom order

Identifiers

CAS number
170851-70-4
SMILES
CC(C)(C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCN)C(=O)N)N
InChIKey
NEHWBYHLYZGBNO-BVEPWEIPSA-N
InChI
InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t29-,30+,31+,32-/m0/s1

Weigh it out

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

Work with Ipamorelin

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

Pralmorelin158861-67-754 % similar Examorelin140703-51-151 % similar Melanotan-II121062-08-644 % similar Lanreotide108736-35-242 % similar Pal-tripeptide-1147732-56-742 % similar Lanreotide acetate127984-74-140 % similar Vapreotide103222-11-340 % similar Bremelanotide189691-06-337 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook