N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt

C26H42N2O4CAS 26699-00-3446.63 g/mol

Open in Covalent MOL file
NHNHOOOOH
Carboxylic acidSecondary amine

Properties

Molecular formula
C26H42N2O4
Molar mass
446.63 g/mol
Exact mass
446.3145 Da
logP
5.86Crippen estimate
Polar surface area
91.2 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
8
Stereocentres
S, 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
26699-00-3
SMILES
C1CCC(NC2CCCCC2)CC1.CC[C@H](C)[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
QWMHUFMEYKIYPC-JGAZGGJJSA-N
InChI
InChI=1S/C14H19NO4.C12H23N/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17);11-13H,1-10H2/t10-,12-;/m0./s1

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Names and synonyms

4 names
  • L-Isoleucine, N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)
  • Isoleucine, N-carboxy-, N-benzyl ester, compd. with dicyclohexylamine (1:1), L-
  • Isoleucine, N-carboxy-, N-benzyl ester, compd. with dicyclohexylamine
  • L-Isoleucine, N-carboxy-, N-benzyl ester, dicyclohexylamine salt

Work with N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt

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.

N-[(Phenylmethoxy)carbonyl]-L-isoleucine3160-59-6Free acid Dicyclohexylamine101-83-7Free base 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 D-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)76477-42-4Salt L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-8Salt Z-D-Leu-OH.DCHA7662-58-0Salt Boc-N-me-phe DCHA40163-88-0Salt

Similar compounds

(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid69901-75-367 % similar Benzyloxycarbonyl-L-valine1149-26-463 % similar N-(Benzyloxycarbonyl)-DL-valine3588-63-463 % similar Z-Thr-OH19728-63-361 % similar (2S)-2-(((Phenylmethoxy)carbonyl)amino)butanoic acid42918-86-560 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine251316-98-057 % similar N-Fmoc-L-isoleucine71989-23-657 % similar N-Carbobenzyloxyalanine1142-20-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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