Fmoc-ser(tbu)-thr(psime,mepro)-oh

C₂₉H₃₆N₂O₇CAS 1266350-99-5524.61 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₉H₃₆N₂O₇
Molar mass: 524.61 g/mol
Exact mass: 524.2523 Da
logP: 4.15Crippen estimate
Polar surface area: 114.4 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 7
Stereocentres: R, S, Sin SMILES atom order

Identifiers

CAS number

1266350-99-5

SMILES

C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)[C@H](COC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChIKey

AVAILEBHPYBEGO-CQLNOVPUSA-N

InChI

InChI=1S/C29H36N2O7/c1-17-24(26(33)34)31(29(5,6)38-17)25(32)23(16-37-28(2,3)4)30-27(35)36-15-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,17,22-24H,15-16H2,1-6H3,(H,30,35)(H,33,34)/t17-,23+,24+/m1/s1

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Names and synonyms

1 names

Fmoc-Ser(tBu)-Thr(Psi(Me,Me)pro)-OH

Work with Fmoc-ser(tbu)-thr(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

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

Elsewhere

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