3-((Acetamidomethyl)sulfanyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-L-valine

C₂₃H₂₆N₂O₅SCAS 201531-76-2442.53 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₂₃H₂₆N₂O₅S
Molar mass: 442.53 g/mol
Exact mass: 442.1562 Da
logP: 3.58Crippen estimate
Polar surface area: 104.7 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 8
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

201531-76-2

SMILES

CC(=O)NCSC(C)(C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

HJXCJYNKTHOYRD-HXUWFJFHSA-N

InChI

InChI=1S/C23H26N2O5S/c1-14(26)24-13-31-23(2,3)20(21(27)28)25-22(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-13H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)/t20-/m1/s1

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Names and synonyms

1 names

Fmoc-pen(acm)-oh

Work with 3-((Acetamidomethyl)sulfanyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-L-valine

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

(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-768 % similar Fmoc-S-trityl-L-penicillamine201531-88-667 % similar Fmoc-lys(ac)-OH159766-56-059 % similar Fmoc-D-cys(tbu)-oh131766-22-858 % similar Fmoc-L-phenylglycine102410-65-158 % similar Fmoc-D-phg-oh111524-95-958 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-556 % similar Fmoc-D-abu-oh170642-27-056 % similar

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

Same formula

Acepromazine maleate3598-37-6

Elsewhere

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