Name: Name:Benzenepropanoic acid,a-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-
Brand: Angene
SKU: AG00IBTM
Rating: 90 (10 reviews)

Benzenepropanoic acid,a-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-

CAS No.:

683217-58-5

Catalog Number:

AG00IBTM

Molecular Formula:

C25H23NO4

Molecular Weight:

401.4544

Catalog Number:

AG00IBTM

Chemical Name:

Benzenepropanoic acid,a-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-

CAS Number:

683217-58-5

Molecular Formula:

C25H23NO4

Molecular Weight:

401.4544

MDL Number:

MFCD02258442

IUPAC Name:

2-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

InChI:

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

InChI Key:

NZMKXKRMTSBQFS-UHFFFAOYSA-N

SMILES:

O=C(OCC1c2ccccc2c2c1cccc2)NCC(C(=O)O)Cc1ccccc1

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:

4.5