(S)-Alpha-Fmoc-D-Boc-4-Piperidylglycine

C₂₇H₃₂N₂O₆CAS 204058-24-2480.56 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₇H₃₂N₂O₆
Molar mass: 480.56 g/mol
Exact mass: 480.2260 Da
logP: 4.63Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

204058-24-2

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

ATJZZVCJRHLAGA-QHCPKHFHSA-N

InChI

InChI=1S/C27H32N2O6/c1-27(2,3)35-26(33)29-14-12-17(13-15-29)23(24(30)31)28-25(32)34-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22-23H,12-16H2,1-3H3,(H,28,32)(H,30,31)/t23-/m0/s1

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Names and synonyms

1 names

(S)-A-Fmoc-D-boc-4-piperidylglycine

Work with (S)-Alpha-Fmoc-D-Boc-4-Piperidylglycine

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-chg-oh161321-36-465 % similar Fmoc-D-chg-oh198543-96-365 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-363 % similar Fmoc-O-tert-butyl-D-threonine138797-71-463 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-463 % similar Fmoc-lys(boc)(isopropyl)-oh201003-48-763 % similar Fmoc-allo-thr(tbu)-oh201481-37-063 % similar (2S,4R)-Fmoc-4-amino-1-boc-pyrrolidine-2-carboxylic acid176486-63-862 % similar

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

Same formula

Solifenacin succinate242478-38-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook