chempirical

(αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-1H-indene-2-acetic acid

C26H23NO4CAS 205526-39-2413.47 g/mol

Open in Covalent MOL file
OOHNHOO
Carboxylic acid

Properties

Molecular formula
C26H23NO4
Molar mass
413.47 g/mol
Exact mass
413.1627 Da
logP
4.60Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
205526-39-2
SMILES
O=C(O)[C@@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C1Cc2ccccc2C1
InChIKey
PLYYQWWELYJSEB-DEOSSOPVSA-N
InChI
InChI=1S/C26H23NO4/c28-25(29)24(18-13-16-7-1-2-8-17(16)14-18)27-26(30)31-15-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,18,23-24H,13-15H2,(H,27,30)(H,28,29)/t24-/m0/s1

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Names and synonyms

2 names
  • 1H-Indene-2-acetic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-, (αS)-
  • 1H-Indene-2-acetic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-, (S)-

Work with (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-1H-indene-2-acetic 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

Similar compounds

Fmoc-L-valine68858-20-872 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine251316-98-067 % similar N-Fmoc-L-isoleucine71989-23-667 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-365 % similar N-(9-Fluorenylmethoxycarbonyl)-D-alanine79990-15-165 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid138774-93-364 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-764 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-D-phenylalanine352351-63-464 % similar

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

Same formula

(2R)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-phenyl-4-pentenoic acid215190-23-1

Elsewhere

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