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

C₄₅H₄₃N₃O₇CAS 1821378-64-6737.85 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₄₅H₄₃N₃O₇
Molar mass: 737.85 g/mol
Exact mass: 737.3101 Da
logP: 6.83Crippen estimate
Polar surface area: 134.3 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 12
Stereocentres: S, Sin SMILES atom order

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-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-val-ser(psime,mepro)-oh186023-49-465 % similar Fmoc-N-me-gln(trt)-oh1632075-13-860 % similar Fmoc-ser(tbu)-thr(psime,mepro)-oh1266350-99-554 % similar Fmoc-D-ser(trt)-oh212688-51-253 % similar Fmoc-homoser(trt)-oh111061-55-353 % 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

Elsewhere

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