chempirical

Pentapeptide-18

C29H39N5O7CAS 64963-01-5569.66 g/mol

Open in Covalent MOL file
ONHONHONHOHONHOOHNH2
AmideCarboxylic acidPhenolPrimary amine

Properties

Molecular formula
C29H39N5O7
Molar mass
569.66 g/mol
Exact mass
569.2849 Da
logP
0.23Crippen estimate
Polar surface area
199.9 Ų
H-bond donors / acceptors
7 / 7
Rotatable bonds
15
Stereocentres
R, 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
64963-01-5
SMILES
C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChIKey
ZHUJMSMQIPIPTF-JMBSJVKXSA-N
InChI
InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • Tyr-D-ala-gly-phe-leu

Work with Pentapeptide-18

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

[Leu5]-enkephalin58822-25-686 % similar H-Tyr-gly-gly-phe-met-oh58569-55-467 % similar Leucylphenylalanine56217-82-460 % similar Dermorphin77614-16-557 % similar Dynorphin A (1-13)72957-38-151 % similar Kisspeptin-10374675-21-550 % similar Nociceptin170713-75-450 % similar Aod 9604221231-10-349 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook