Name: Name:(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(7-fluoro-1H-indol-3-yl)propanoic acid
Brand: Angene
SKU: AG00I3JJ
Rating: 90 (10 reviews)

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(7-fluoro-1H-indol-3-yl)propanoic acid

CAS No.:

1956434-65-3

Catalog Number:

AG00I3JJ

Molecular Formula:

C26H21FN2O4

Molecular Weight:

444.4543

Catalog Number:

AG00I3JJ

Chemical Name:

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(7-fluoro-1H-indol-3-yl)propanoic acid

CAS Number:

1956434-65-3

Molecular Formula:

C26H21FN2O4

Molecular Weight:

444.4543

MDL Number:

MFCD26960591

IUPAC Name:

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(7-fluoro-1H-indol-3-yl)propanoic acid

InChI:

InChI=1S/C26H21FN2O4/c27-22-11-5-10-16-15(13-28-24(16)22)12-23(25(30)31)29-26(32)33-14-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-11,13,21,23,28H,12,14H2,(H,29,32)(H,30,31)/t23-/m0/s1

InChI Key:

VSKNZCGVDSEOBY-QHCPKHFHSA-N

SMILES:

O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2F)OCC1c2ccccc2c2c1cccc2

Complexity:

698

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

444.149g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

444.462g/mol

Monoisotopic Mass:

444.149g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9