chempirical

Pralmorelin

C45H55N9O6CAS 158861-67-7817.99 g/mol

Open in Covalent MOL file
OHNONHOHNNHOHNOHNH2NONH2H2N
AmidePrimary amine

Properties

Molecular formula
C45H55N9O6
Molar mass
817.99 g/mol
Exact mass
817.4275 Da
logP
1.75Crippen estimate
Polar surface area
256.4 Ų
H-bond donors / acceptors
9 / 8
Rotatable bonds
21
Stereocentres
R, R, S, S, R, Sin SMILES atom order

Identifiers

CAS number
158861-67-7
SMILES
C[C@H](C(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N)N
InChIKey
HRNLPPBUBKMZMT-RDRUQFPZSA-N
InChI
InChI=1S/C45H55N9O6/c1-27(47)41(56)52-38(24-30-19-20-31-14-6-7-15-32(31)22-30)43(58)50-28(2)42(57)53-39(25-33-26-49-35-17-9-8-16-34(33)35)45(60)54-37(23-29-12-4-3-5-13-29)44(59)51-36(40(48)55)18-10-11-21-46/h3-9,12-17,19-20,22,26-28,36-39,49H,10-11,18,21,23-25,46-47H2,1-2H3,(H2,48,55)(H,50,58)(H,51,59)(H,52,56)(H,53,57)(H,54,60)/t27-,28+,36+,37-,38-,39+/m1/s1

Weigh it out

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

Work with Pralmorelin

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

Examorelin140703-51-163 % similar Lanreotide108736-35-258 % similar Vapreotide103222-11-356 % similar Lanreotide acetate127984-74-154 % similar Ipamorelin170851-70-454 % similar Endomorphin-1189388-22-549 % similar Nonapeptide-1158563-45-249 % similar Decapeptide-12137665-91-946 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook