Fmoc-Glu(OtBu)-Ser(Psi(Me,Me)pro)-OH

C₃₀H₃₆N₂O₈CAS 909115-33-9552.62 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Ester Ether

Properties

Molecular formula: C₃₀H₃₆N₂O₈
Molar mass: 552.62 g/mol
Exact mass: 552.2472 Da
logP: 4.06Crippen estimate
Polar surface area: 131.5 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 8
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

909115-33-9

SMILES

CC1(N([C@@H](CO1)C(=O)O)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C

InChIKey

DSGXIRQTDFOKPQ-ZEQRLZLVSA-N

InChI

InChI=1S/C30H36N2O8/c1-29(2,3)40-25(33)15-14-23(26(34)32-24(27(35)36)17-39-30(32,4)5)31-28(37)38-16-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,22-24H,14-17H2,1-5H3,(H,31,37)(H,35,36)/t23-,24-/m0/s1

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Names and synonyms

1 names

Fmoc-glu(otbu)-ser(psi-me,mepro)-oh

Work with Fmoc-Glu(OtBu)-Ser(Psi(Me,Me)pro)-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-lys(boc)-ser(psime,mepro)-oh957780-54-080 % similar Fmoc-ser(tbu)-ser(psime,mepro)-oh1000164-43-178 % similar Fmoc-Gln(Trt)-Ser(Psi(Me,Me)pro)-OH1821378-64-674 % similar Fmoc-phe-ser(psime,mepro)-oh878797-01-472 % similar Fmoc-L-Glu(OtBu)-OH monohydrate204251-24-170 % similar Fmoc-ala-ser(yme,mepro)-oh252554-78-269 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid159751-47-067 % similar Fmoc-val-ser(psime,mepro)-oh186023-49-467 % similar

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

Elsewhere

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