chempirical

Hexapeptide-11

C36H48N6O7CAS 161258-30-6676.82 g/mol

Open in Covalent MOL file
ONONHONOHONHOHNONH2
AmideCarboxylic acidPrimary amine

Properties

Molecular formula
C36H48N6O7
Molar mass
676.82 g/mol
Exact mass
676.3584 Da
logP
1.00Crippen estimate
Polar surface area
191.2 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
14
Stereocentres
S, 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
161258-30-6
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=CC=C4)N
InChIKey
GFEYWOGCSROPRT-OBXVVNIGSA-N
InChI
InChI=1S/C36H48N6O7/c1-22(2)30(40-31(43)26(37)20-24-12-6-4-7-13-24)33(45)38-23(3)34(46)41-18-10-16-28(41)32(44)39-27(21-25-14-8-5-9-15-25)35(47)42-19-11-17-29(42)36(48)49/h4-9,12-15,22-23,26-30H,10-11,16-21,37H2,1-3H3,(H,38,45)(H,39,44)(H,40,43)(H,48,49)/t23-,26-,27-,28-,29-,30-/m0/s1

Weigh it out

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

Work with Hexapeptide-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

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

Elsewhere

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