Fmoc-lys(boc)-ser(psime,mepro)-oh

C₃₂H₄₁N₃O₈CAS 957780-54-0595.69 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₃₂H₄₁N₃O₈
Molar mass: 595.69 g/mol
Exact mass: 595.2894 Da
logP: 4.64Crippen estimate
Polar surface area: 143.5 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 10
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

957780-54-0

SMILES

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

InChIKey

SCQJDNYUMSKATK-UIOOFZCWSA-N

InChI

InChI=1S/C32H41N3O8/c1-31(2,3)43-29(39)33-17-11-10-16-25(27(36)35-26(28(37)38)19-42-32(35,4)5)34-30(40)41-18-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24/h6-9,12-15,24-26H,10-11,16-19H2,1-5H3,(H,33,39)(H,34,40)(H,37,38)/t25-,26-/m0/s1

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Names and synonyms

1 names

Fmoc-Lys(Boc)-Ser(Psi(Me,Me)pro)-OH

Work with Fmoc-lys(boc)-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-Glu(OtBu)-Ser(Psi(Me,Me)pro)-OH909115-33-980 % similar Fmoc-ser(tbu)-ser(psime,mepro)-oh1000164-43-175 % similar (2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-774 % similar Fmoc-D-orn(boc)-oh118476-89-470 % similar N-Boc-N'-fmoc-L-lysine84624-27-170 % similar Fmoc-phe-ser(psime,mepro)-oh878797-01-469 % similar Boc-orn(fmoc)-oh150828-96-967 % similar Fmoc-Gln(Trt)-Ser(Psi(Me,Me)pro)-OH1821378-64-667 % similar

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

Elsewhere

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