S-(9H-Fluoren-9-ylmethyl)-N-[(2-propen-1-yloxy)carbonyl]-L-cysteine

C₂₁H₂₁NO₄SCAS 182201-77-0383.46 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₂₁H₂₁NO₄S
Molar mass: 383.46 g/mol
Exact mass: 383.1191 Da
logP: 3.90Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 8
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

182201-77-0

SMILES

C=CCOC(=O)N[C@@H](CSCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O

InChIKey

MUSZBDPVJSUUQY-IBGZPJMESA-N

InChI

InChI=1S/C21H21NO4S/c1-2-11-26-21(25)22-19(20(23)24)13-27-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,22,25)(H,23,24)/t19-/m0/s1

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Names and synonyms

1 names

S-((9H-Fluoren-9-yl)methyl)-N-((allyloxy)carbonyl)-L-cysteine

Work with S-(9H-Fluoren-9-ylmethyl)-N-[(2-propen-1-yloxy)carbonyl]-L-cysteine

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-dap(aloc)-oh188970-92-571 % similar Fmoc-asp(oall)-oh146982-24-368 % similar Fmoc-D-asp(oall)-oh177609-12-068 % similar Fmoc-orn(aloc)-oh147290-11-766 % similar (R)-N-Fmoc-allylglycine170642-28-166 % similar Fmoc-glu(oall)-oh133464-46-766 % similar Fmoc-lys(aloc)-oh146982-27-665 % similar N-Alpha-allyloxycarbonyl-N-epsilon-(9-fluorenylmethyloxycarbonyl)-L-lysine186350-56-165 % similar

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

Elsewhere

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