chempirical

Melanotan-II

C50H69N15O9CAS 121062-08-61024.20 g/mol

Open in Covalent MOL file
OHNONHNHONHONHONHONHONNHNNH2NH2NHOH2NNHO
AmideGuanidineLactam

Properties

Molecular formula
C50H69N15O9
Molar mass
1024.20 g/mol
Exact mass
1023.5403 Da
logP
-1.25Crippen estimate
Polar surface area
384.8 Ų
H-bond donors / acceptors
13 / 11
Rotatable bonds
17
Stereocentres
S, S, S, S, 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
121062-08-6
SMILES
CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)N)NC(=O)C
InChIKey
JDKLPDJLXHXHNV-MFVUMRCOSA-N
InChI
InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1

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

Names and synonyms

1 names
  • Melanotan ii

Work with Melanotan-II

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

Bremelanotide189691-06-388 % similar Bremelanotide acetate1607799-13-285 % similar Acetyl hexapeptide-1448944-47-680 % similar Met-glu-his-phe-arg-trp-gly4037-01-855 % similar Kisspeptin-10374675-21-552 % similar Leuprorelin53714-56-052 % similar Deslorelin57773-65-652 % similar Examorelin140703-51-151 % similar

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

Elsewhere

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