Name: Name:(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid
Brand: Angene
SKU: AG003QMI
Rating: 90 (10 reviews)

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid

CAS No.:

270063-55-3

Catalog Number:

AG003QMI

Molecular Formula:

C25H21F2NO4

Molecular Weight:

437.4353

Catalog Number:

AG003QMI

Chemical Name:

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid

CAS Number:

270063-55-3

Molecular Formula:

C25H21F2NO4

Molecular Weight:

437.4353

MDL Number:

MFCD01861051

IUPAC Name:

(3S)-4-(3,4-difluorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

InChI:

InChI=1S/C25H21F2NO4/c26-22-10-9-15(12-23(22)27)11-16(13-24(29)30)28-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,16,21H,11,13-14H2,(H,28,31)(H,29,30)/t16-/m0/s1

InChI Key:

JMBTVCKRMLBMJH-INIZCTEOSA-N

SMILES:

OC(=O)C[C@H](Cc1ccc(c(c1)F)F)NC(=O)OCC1c2ccccc2c2c1cccc2

Complexity:

640

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

437.144g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

437.443g/mol

Monoisotopic Mass:

437.144g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8