chempirical

Fmoc-metrp(boc)-oh

C32H32N2O6CAS 197632-75-0540.62 g/mol

Open in Covalent MOL file
OONOHONOO
CarbamateCarboxylic acid

Properties

Molecular formula
C32H32N2O6
Molar mass
540.62 g/mol
Exact mass
540.2260 Da
logP
6.30Crippen estimate
Polar surface area
98.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
197632-75-0
SMILES
CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChIKey
YMZUDCKQUKFBIR-NDEPHWFRSA-N
InChI
InChI=1S/C32H32N2O6/c1-32(2,3)40-31(38)34-18-20(21-11-9-10-16-27(21)34)17-28(29(35)36)33(4)30(37)39-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h5-16,18,26,28H,17,19H2,1-4H3,(H,35,36)/t28-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Fmoc-metrp(boc)-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

1-(tert-Butoxycarbonyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-D-tryptophan163619-04-369 % similar Fmoc-L-trp(boc)-oh143824-78-668 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester152548-66-863 % similar N-Fmoc-N-methyl-O-tert-butyl-L-serine197632-77-261 % similar Fmoc-N-methyl-L-glutamic acid 5-tert-butyl ester200616-40-661 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-O-t-butyl-L-tyrosine133373-24-760 % similar Fmoc-N-methyl-D-phenylalanine138775-05-059 % similar Fmoc-N-me-D-orn(boc)-OH2044710-64-557 % similar

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

Elsewhere

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