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.

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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 L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-2Salt N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-2Salt N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-4Salt Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt D-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)76477-42-4Salt

Similar compounds

N-[(1,1-Dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-L-tyrosine64263-81-671 % similar Boc-MeTyr-OH82038-34-468 % similar Boc-MeTyr(tBu)-OH66638-37-765 % 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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