Fmoc-phe-ser(psime,mepro)-oh

C₃₀H₃₀N₂O₆CAS 878797-01-4514.58 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₃₀H₃₀N₂O₆
Molar mass: 514.58 g/mol
Exact mass: 514.2104 Da
logP: 4.18Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
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

878797-01-4

SMILES

CC1(N([C@@H](CO1)C(=O)O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C

InChIKey

PQJUKTSKOYOXMZ-UIOOFZCWSA-N

InChI

InChI=1S/C30H30N2O6/c1-30(2)32(26(18-38-30)28(34)35)27(33)25(16-19-10-4-3-5-11-19)31-29(36)37-17-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24/h3-15,24-26H,16-18H2,1-2H3,(H,31,36)(H,34,35)/t25-,26-/m0/s1

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Names and synonyms

1 names

Fmoc-Phe-Ser(Psi(Me,Me)pro)-OH

Work with Fmoc-phe-ser(psime,mepro)-oh

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

Fmoc-ser(tbu)-ser(psime,mepro)-oh1000164-43-180 % similar Fmoc-ala-ser(yme,mepro)-oh252554-78-275 % similar Fmoc-val-ser(psime,mepro)-oh186023-49-473 % similar Fmoc-Gln(Trt)-Ser(Psi(Me,Me)pro)-OH1821378-64-673 % similar Fmoc-Glu(OtBu)-Ser(Psi(Me,Me)pro)-OH909115-33-972 % similar Fmoc-lys(boc)-ser(psime,mepro)-oh957780-54-069 % similar Fmoc-phe-oh286460-71-766 % similar Fmoc-D-phenylalanine86123-10-666 % similar

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

Elsewhere

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