Acetyl tetrapeptide-3

C₂₂H₃₉N₉O₅CAS 827306-88-7509.61 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₂₂H₃₉N₉O₅
Molar mass: 509.61 g/mol
Exact mass: 509.3074 Da
logP: -2.71Crippen estimate
Polar surface area: 240.2 Å²
H-bond donors / acceptors: 8 / 8
Rotatable bonds: 18
Stereocentres: 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

827306-88-7

SMILES

CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)N

InChIKey

RRJOMESUBQAYOA-BZSNNMDCSA-N

InChI

InChI=1S/C22H39N9O5/c1-14(32)29-17(7-3-5-9-24)21(35)27-12-19(33)30-18(10-15-11-26-13-28-15)22(36)31-16(20(25)34)6-2-4-8-23/h11,13,16-18H,2-10,12,23-24H2,1H3,(H2,25,34)(H,26,28)(H,27,35)(H,29,32)(H,30,33)(H,31,36)/t16-,17-,18-/m0/s1

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Work with Acetyl tetrapeptide-3

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

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

Elsewhere

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