trans-1-Benzoyl-4-phenyl-L-proline

C₁₈H₁₇NO₃CAS 120851-71-0295.34 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₁₈H₁₇NO₃
Molar mass: 295.34 g/mol
Exact mass: 295.1208 Da
logP: 2.77Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

120851-71-0

SMILES

C1[C@H](CN([C@@H]1C(=O)O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChIKey

NJMASXVCJXPDME-CVEARBPZSA-N

InChI

InChI=1S/C18H17NO3/c20-17(14-9-5-2-6-10-14)19-12-15(11-16(19)18(21)22)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,21,22)/t15-,16+/m1/s1

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Work with trans-1-Benzoyl-4-phenyl-L-proline

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

1-Benzoyl-4-piperidinecarboxylic acid5274-99-751 % similar N-Phthaloyl-(S)-phenylalanine5123-55-748 % similar Diphenylacetic acid117-34-046 % similar 1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-345 % similar Methenamine mandelate587-23-544 % similar trans-2-Phenylcyclopropanecarboxylic acid939-90-244 % similar L-Proline, 4-phenyl-, hydrochloride (1:1), (4S)-90657-53-743 % similar Phenylmalonic acid2613-89-043 % similar

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

Same formula

Isoxadifen-ethyl163520-33-0 Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate37033-95-7 Indobufen63610-08-2

Elsewhere

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