chempirical

Sacubitril

C24H29NO5CAS 149709-62-6411.50 g/mol

Open in Covalent MOL file
OOHNOOHO
Carboxylic acidEster

Properties

Molecular formula
C24H29NO5
Molar mass
411.50 g/mol
Exact mass
411.2046 Da
logP
4.68Crippen estimate
Polar surface area
96.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
11
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
149709-62-6
SMILES
CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)N=C(O)CCC(=O)O
InChIKey
PYNXFZCZUAOOQC-UTKZUKDTSA-N
InChI
InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • [1,1′-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-, α-ethyl ester, (αR,γS)-
  • [1,1′-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-, ethyl ester, [S-(R*,S*)]-
  • (2R,4S)-5-(Biphenyl-4-yl)-4-[(3-carboxypropionyl)amino]-2-methylpentanoic acid ethyl ester
  • (2R,4S)-4-[(3-Carboxy-1-oxopropyl)amino]-4-[(p-phenylphenyl)methyl]-2-methylbutanoic acid ethyl ester
  • AHU 377

Work with Sacubitril

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

(2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride149690-12-055 % similar Sacubitril hemicalcium salt1369773-39-648 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-843 % similar N-Benzoyl-L-tyrosine ethyl ester3483-82-743 % similar Ethyl 2-benzylacetoacetate620-79-140 % similar 1,1-Dimethylethyl N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamate butanedioate (2:1)183388-64-939 % similar Sacubitril-valsartan936623-90-438 % similar Fenbufen36330-85-538 % similar

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

Same formula

O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine117106-20-4

Elsewhere

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