chempirical

Acetyl tetrapeptide-11

C27H38N4O7CAS 928006-88-6530.62 g/mol

Open in Covalent MOL file
OOHNHOOHNHONONO
AmideCarboxylic acidPhenol

Properties

Molecular formula
C27H38N4O7
Molar mass
530.62 g/mol
Exact mass
530.2740 Da
logP
1.04Crippen estimate
Polar surface area
156.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
10
Stereocentres
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
928006-88-6
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)C
InChIKey
KQEQPUBSXXOUGC-MLCQCVOFSA-N
InChI
InChI=1S/C27H38N4O7/c1-16(2)14-21(27(37)38)29-24(34)20(15-18-8-10-19(33)11-9-18)28-25(35)22-6-4-13-31(22)26(36)23-7-5-12-30(23)17(3)32/h8-11,16,20-23,33H,4-7,12-15H2,1-3H3,(H,28,35)(H,29,34)(H,37,38)/t20-,21-,22-,23-/m0/s1

Weigh it out

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Names and synonyms

1 names
  • Acetyltetrapeptide 11

Work with Acetyl tetrapeptide-11

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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