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C30H53N3O6CAS 173334-57-1551.77 g/mol

Open in Covalent MOL file
OONH2OHOHNNH2OO
AlcoholEtherPrimary amine

Properties

Molecular formula
C30H53N3O6
Molar mass
551.77 g/mol
Exact mass
551.3934 Da
Melting point
98–99 °C
logP
5.18Crippen estimate
Polar surface area
150.6 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
19
Stereocentres
S, S, S, Sin SMILES atom order

Identifiers

CAS number
173334-57-1
SMILES
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(O)=NCC(C)(C)C(=N)O)C(C)C)C(C)C)ccc1OC
InChIKey
UXOWGYHJODZGMF-QORCZRPOSA-N
InChI
InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • Benzeneoctanamide, δ-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-γ-hydroxy-4-methoxy-3-(3-methoxypropoxy)-α,ζ-bis(1-methylethyl)-, (αS,γS,δS,ζS)-
  • Benzeneoctanamide, δ-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-γ-hydroxy-4-methoxy-3-(3-methoxypropoxy)-α,ζ-bis(1-methylethyl)-, [αS-(αR*,γR*,δR*,ζR*)]-
  • (αS,γS,δS,ζS)-δ-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-γ-hydroxy-4-methoxy-3-(3-methoxypropoxy)-α,ζ-bis(1-methylethyl)benzeneoctanamide
  • CGP 60536
  • CGP60536B
  • SPP 100
  • Tekturna
  • Rasilez
  • (2S,4S,5S,7S)-N-(2-Carbamoyl-2-methylpropyl)-5-amino-4-hydroxy-2,7-diisopropyl-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]octanamide
  • Sprimeo
  • Riprazo
  • Enviage

Work with Aliskiren

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

4-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene324763-39-545 % similar 4-[(3-Butoxy-4-methoxyphenyl)methyl]-2-imidazolidinone29925-17-536 % similar 4-Bromo-1-methoxy-2-(3-methoxypropoxy)benzene173336-76-031 % similar Phyllanthin10351-88-930 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook