Name: Name:(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoic acid
Brand: Angene
SKU: AG007M6T
Rating: 90 (10 reviews)

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoic acid

CAS No.:

270065-81-1

Catalog Number:

AG007M6T

Molecular Formula:

C26H22F3NO4

Molecular Weight:

469.4524

Catalog Number:

AG007M6T

Chemical Name:

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoic acid

CAS Number:

270065-81-1

Molecular Formula:

C26H22F3NO4

Molecular Weight:

469.4524

MDL Number:

MFCD01861071

IUPAC Name:

(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-(trifluoromethyl)phenyl]butanoic acid

InChI:

InChI=1S/C26H22F3NO4/c27-26(28,29)17-11-9-16(10-12-17)13-18(14-24(31)32)30-25(33)34-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,30,33)(H,31,32)/t18-/m0/s1

InChI Key:

LHOASNXTOYNEHC-SFHVURJKSA-N

SMILES:

OC(=O)C[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)OCC1c2ccccc2c2c1cccc2

Complexity:

685

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

469.15g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

469.46g/mol

Monoisotopic Mass:

469.15g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.5