chempirical

Dermorphin

C40H50N8O10CAS 77614-16-5802.89 g/mol

Open in Covalent MOL file
OHNONHOHNOHONOHNOHONH2NHOHOH2N
AlcoholAmidePhenolPrimary amine

Properties

Molecular formula
C40H50N8O10
Molar mass
802.89 g/mol
Exact mass
802.3650 Da
logP
-2.00Crippen estimate
Polar surface area
295.6 Ų
H-bond donors / acceptors
10 / 11
Rotatable bonds
19
Stereocentres
R, S, S, S, 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
77614-16-5
SMILES
C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)N
InChIKey
FHZPGIUBXYVUOY-VWGYHWLBSA-N
InChI
InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • Dermorphin acetate

Work with Dermorphin

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 2141801-26-565 % similar Endomorphin-1189388-22-557 % similar Pentapeptide-1864963-01-557 % similar Hexapeptide-11161258-30-655 % similar Linaclotide851199-59-253 % similar Kisspeptin-10374675-21-552 % similar Clip53917-42-351 % similar Ornipressin3397-23-751 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook