Name: Name:Benzenepropanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-methyl-,(bS)-
Brand: Angene
SKU: AG00I8QB
Rating: 90 (10 reviews)

Benzenepropanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-methyl-,(bS)-

CAS No.:

479064-99-8

Catalog Number:

AG00I8QB

Molecular Formula:

C25H23NO4

Molecular Weight:

401.4544

Catalog Number:

AG00I8QB

Chemical Name:

Benzenepropanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-methyl-,(bS)-

CAS Number:

479064-99-8

Molecular Formula:

C25H23NO4

Molecular Weight:

401.4544

MDL Number:

MFCD03427973

IUPAC Name:

(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methylphenyl)propanoic acid

InChI:

InChI=1S/C25H23NO4/c1-16-10-12-17(13-11-16)23(14-24(27)28)26-25(29)30-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1

InChI Key:

QVNBKPSESKXKBL-QHCPKHFHSA-N

SMILES:

OC(=O)C[C@@H](c1ccc(cc1)C)NC(=O)OCC1c2ccccc2c2c1cccc2

Complexity:

578

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:

4.4