chempirical

Boc-N-me-phe DCHA

C27H44N2O4CAS 40163-88-0460.66 g/mol

Open in Covalent MOL file
OONOHONH
CarbamateCarboxylic acidSecondary amine

Properties

Molecular formula
C27H44N2O4
Molar mass
460.66 g/mol
Exact mass
460.3301 Da
logP
5.79Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
40163-88-0
SMILES
CC(C)(C)OC(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChIKey
MFORGORUOHHLHW-YDALLXLXSA-N
InChI
InChI=1S/C15H21NO4.C12H23N/c1-15(2,3)20-14(19)16(4)12(13(17)18)10-11-8-6-5-7-9-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,12H,10H2,1-4H3,(H,17,18);11-13H,1-10H2/t12-;/m0./s1

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Names and synonyms

1 names
  • Boc-mephe-oh dcha

Work with Boc-N-me-phe DCHA

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-N-methyl-L-phenylalanine37553-65-4Free acid N-Boc-N-methyl-D-phenylalanine85466-66-6Free acid, enantiomer Dicyclohexylamine101-83-7Free base Boc-D-N-me-phe DCHA102185-45-5Enantiomer Dicyclohexylammonium nitrite3129-91-7Salt N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-4Salt Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-2Salt N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-8Salt L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-2Salt

Similar compounds

N-[(1,1-Dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-L-tyrosine64263-81-671 % similar Boc-MeTyr-OH82038-34-468 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-N-methyl-L-tyrosine66638-37-765 % similar Cbz-N-methyl-L-phenylalanine2899-07-261 % similar N-Boc-N-methyl-S-trityl-L-cysteine91292-54-559 % similar Boc-N-me-ser-oh101772-29-655 % similar Fmoc-N-methyl-D-phenylalanine138775-05-054 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid77128-73-554 % similar

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

Elsewhere

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