(1R,2R)-2-[[4′-[[(Phenylamino)carbonyl]amino][1,1′-biphenyl]-4-yl]carbonyl]cyclopentanecarboxylic acid

C₂₆H₂₄N₂O₄CAS 959122-11-3428.49 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Ketone Secondary Amine

Properties

Molecular formula: C₂₆H₂₄N₂O₄
Molar mass: 428.49 g/mol
Exact mass: 428.1736 Da
Melting point: 187–189 °C
logP: 5.69Crippen estimate
Polar surface area: 99.0 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 6

Identifiers

CAS number

959122-11-3

SMILES

O=C(O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(NC(O)=Nc3ccccc3)cc2)cc1

InChIKey

BOZRFEQDOFSZBV-DHIUTWEWSA-N

InChI

InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1

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Names and synonyms

2 names

Cyclopentanecarboxylic acid, 2-[[4′-[[(phenylamino)carbonyl]amino][1,1′-biphenyl]-4-yl]carbonyl]-, (1R,2R)-
A 922500

Work with (1R,2R)-2-[[4′-[[(Phenylamino)carbonyl]amino][1,1′-biphenyl]-4-yl]carbonyl]cyclopentanecarboxylic acid

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

Same formula

N-[(Phenylmethoxy)carbonyl]-L-tryptophan phenylmethyl ester69876-37-5

Elsewhere

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