Name: Name:(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(dimethylamino)phenyl)propanoic acid
Brand: Angene
SKU: AG01BJ9J
Rating: 90 (10 reviews)

(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(dimethylamino)phenyl)propanoic acid

CAS No.:

861719-77-9

Catalog Number:

AG01BJ9J

Molecular Formula:

C26H26N2O4

Molecular Weight:

430.4956

Catalog Number:

AG01BJ9J

Chemical Name:

(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(dimethylamino)phenyl)propanoic acid

CAS Number:

861719-77-9

Molecular Formula:

C26H26N2O4

Molecular Weight:

430.4956

MDL Number:

MFCD30752464

IUPAC Name:

(2S)-3-[4-(dimethylamino)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

InChI:

InChI=1S/C26H26N2O4/c1-28(2)18-13-11-17(12-14-18)15-24(25(29)30)27-26(31)32-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,23-24H,15-16H2,1-2H3,(H,27,31)(H,29,30)/t24-/m0/s1

InChI Key:

TWNGBHYOIMBXEN-DEOSSOPVSA-N

SMILES:

O=C(N[C@H](C(=O)O)Cc1ccc(cc1)N(C)C)OCC1c2ccccc2c2c1cccc2

Complexity:

624

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

430.189g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

430.504g/mol

Monoisotopic Mass:

430.189g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8