Fmoc-Gln(Trt)-Ser(Psi(Me,Me)pro)-OH

C45H43N3O7CAS 1821378-64-6737.85 g/mol

Open in Covalent MOL file
NOOOHOOHNNHOO
AmideCarbamateCarboxylic acidEther

Properties

Molecular formula
C45H43N3O7
Molar mass
737.85 g/mol
Exact mass
737.3101 Da
logP
6.83Crippen estimate
Polar surface area
134.3 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
12
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1821378-64-6
SMILES
CC1(N([C@@H](CO1)C(=O)O)C(=O)[C@H](CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)C
InChIKey
FPGMGQRBDQAVPQ-YDAXCOIMSA-N
InChI
InChI=1S/C45H43N3O7/c1-44(2)48(39(29-55-44)42(51)52)41(50)38(46-43(53)54-28-37-35-24-14-12-22-33(35)34-23-13-15-25-36(34)37)26-27-40(49)47-45(30-16-6-3-7-17-30,31-18-8-4-9-19-31)32-20-10-5-11-21-32/h3-25,37-39H,26-29H2,1-2H3,(H,46,53)(H,47,49)(H,51,52)/t38-,39-/m0/s1

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Names and synonyms

1 names
  • Fmoc-gln(trt)-ser(psi-me,mepro)-oh

Work with Fmoc-Gln(Trt)-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-Glu(OtBu)-Ser(Psi(Me,Me)pro)-OH909115-33-974 % similar Fmoc-phe-ser(psime,mepro)-oh878797-01-473 % similar Fmoc-ser(tbu)-ser(psime,mepro)-oh1000164-43-171 % similar N-Fmoc-N'-trityl-D-glutamine200623-62-771 % similar Fmoc-ala-ser(yme,mepro)-oh252554-78-267 % similar Fmoc-lys(boc)-ser(psime,mepro)-oh957780-54-067 % similar Fmoc-val-ser(psime,mepro)-oh186023-49-465 % similar Fmoc-N-me-gln(trt)-oh1632075-13-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(5R)-3-[(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1,4-dioxo-4-[(triphenylmethyl)amino]butyl]-2,2,5-trimethyl-4-oxazolidinecarboxylic acid957780-59-5

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