chempirical

Endomorphin 2

C32H37N5O5CAS 141801-26-5571.68 g/mol

Open in Covalent MOL file
NOOHH2NONHONHOH2N
AmidePhenolPrimary amine

Properties

Molecular formula
C32H37N5O5
Molar mass
571.68 g/mol
Exact mass
571.2795 Da
logP
1.19Crippen estimate
Polar surface area
167.8 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
12
Stereocentres
S, S, S, Sin SMILES atom order

Identifiers

CAS number
141801-26-5
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N
InChIKey
XIJHWXXXIMEHKW-LJWNLINESA-N
InChI
InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • Endomorphin-2

Work with Endomorphin 2

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

Endomorphin-1189388-22-581 % similar Ornipressin3397-23-754 % similar Argipressine113-79-153 % similar Hexapeptide-11161258-30-653 % similar Desmopressin16679-58-647 % similar Vapreotide103222-11-347 % similar Hirudin (54-65) (desulfated)113274-56-945 % similar Bivalirudin128270-60-044 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook