chempirical

Acetyl dipeptide-1 cetyl ester

C33H57N5O5CAS 196604-48-5603.85 g/mol

Open in Covalent MOL file
OONNH2H2NNHOOHHNO
AmideEsterGuanidinePhenol

Properties

Molecular formula
C33H57N5O5
Molar mass
603.85 g/mol
Exact mass
603.4360 Da
logP
5.00Crippen estimate
Polar surface area
169.1 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
25
Stereocentres
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
196604-48-5
SMILES
CCCCCCCCCCCCCCCCOC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C
InChIKey
JFHZXDZUXGBFAQ-KYJUHHDHSA-N
InChI
InChI=1S/C33H57N5O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-43-32(42)29(18-17-23-36-33(34)35)38-31(41)30(37-26(2)39)25-27-19-21-28(40)22-20-27/h19-22,29-30,40H,3-18,23-25H2,1-2H3,(H,37,39)(H,38,41)(H4,34,35,36)/t29-,30-/m0/s1

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Work with Acetyl dipeptide-1 cetyl ester

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

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

Elsewhere

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