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C20H30N2O4CAS 117591-20-5362.47 g/mol

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ONHONHOO
Aldehyde

Properties

Molecular formula
C20H30N2O4
Molar mass
362.47 g/mol
Exact mass
362.2206 Da
logP
4.25Crippen estimate
Polar surface area
91.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
11
Stereocentres
S, 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
117591-20-5
SMILES
CCCC[C@@H](C=O)N=C(O)[C@H](CC(C)C)N=C(O)OCc1ccccc1
InChIKey
PGGUOGKHUUUWAF-ROUUACIJSA-N
InChI
InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1

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Names and synonyms

4 names
  • Carbamic acid, N-[(1S)-1-[[[(1S)-1-formylpentyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester
  • Carbamic acid, [1-[[(1-formylpentyl)amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester, [S-(R*,R*)]-
  • Carbamic acid, [(1S)-1-[[[(1S)-1-formylpentyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester
  • N-[N-[(Phenylmethoxy)carbonyl]-L-leucyl]-L-norleucinal

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Similar compounds

Mg132133407-82-679 % similar N-[(Phenylmethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester3397-35-157 % similar Benzyloxycarbonyl-L-leucine2018-66-857 % similar Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate88191-84-855 % similar N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-455 % similar N-((Phenylmethoxy)carbonyl)norvaline21691-43-052 % similar (S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid21691-44-152 % similar (2S)-2-(((Phenylmethoxy)carbonyl)amino)butanoic acid42918-86-546 % similar

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

Elsewhere

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