CAS 132684-59-4 | Benzenebutanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)- | CAS Number 132684-59-4

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132684-59-4 | Benzenebutanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-

CAS No: 132684-59-4 Catalog No: AG0010ZL MDL No:MFCD00077046

Product Description

Catalog Number:

AG0010ZL

Chemical Name:

Benzenebutanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-

CAS Number:

132684-59-4

Molecular Formula:

C25H23NO4

Molecular Weight:

401.4544

MDL Number:

MFCD00077046

IUPAC Name:

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylbutanoic acid

InChI:

InChI=1S/C25H23NO4/c27-24(28)23(15-14-17-8-2-1-3-9-17)26-25(29)30-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)/t23-/m0/s1

InChI Key:

CIHPCIUGLIZADU-QHCPKHFHSA-N

SMILES:

O=C(N[C@H](C(=O)O)CCc1ccccc1)OCC1c2ccccc2c2c1cccc2

Properties

Complexity:

566

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

401.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

401.462g/mol

Monoisotopic Mass:

401.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
NPC-14686 (Fmoc-l-homophenylalanine)-induced CaCa2+ increases and death in human prostate cancer cells.	Life sciences 20060125
Effect of NPC-14686 (Fmoc-L-homophenylalanine) on intracellular Ca2+ levels in human hepatoma cells.	Life sciences 20030425