Fmoc-gly-thr(psi me,me pro)-oh

C₂₄H₂₆N₂O₆CAS 1262308-49-5438.48 g/mol

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Amide Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₄H₂₆N₂O₆
Molar mass: 438.48 g/mol
Exact mass: 438.1791 Da
logP: 2.96Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

1262308-49-5

SMILES

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

InChIKey

NUXZZZZUNKUMGM-SZNDQCEHSA-N

InChI

InChI=1S/C24H26N2O6/c1-14-21(22(28)29)26(24(2,3)32-14)20(27)12-25-23(30)31-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19,21H,12-13H2,1-3H3,(H,25,30)(H,28,29)/t14-,21+/m1/s1

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Names and synonyms

1 names

Fmoc-gly-thr[psi(me,me)pro]-OH

Work with Fmoc-gly-thr(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

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

Same formula

Fmoc-orn(aloc)-oh147290-11-7

Elsewhere

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