Name: Name:3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid
Brand: Angene
SKU: AG01EKG6
Rating: 90 (10 reviews)

3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid

CAS No.:

282525-12-6

Catalog Number:

AG01EKG6

Molecular Formula:

C22H19NO4S

Molecular Weight:

393.4556

Catalog Number:

AG01EKG6

Chemical Name:

3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid

CAS Number:

282525-12-6

Molecular Formula:

C22H19NO4S

Molecular Weight:

393.4556

MDL Number:

MFCD01863207

IUPAC Name:

3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-2-ylpropanoic acid

InChI:

InChI=1S/C22H19NO4S/c24-21(25)12-19(20-10-5-11-28-20)23-22(26)27-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-11,18-19H,12-13H2,(H,23,26)(H,24,25)

InChI Key:

OTFVOIGWAZDVSI-UHFFFAOYSA-N

SMILES:

O=C(NC(c1cccs1)CC(=O)O)OCC1c2ccccc2c2c1cccc2

Complexity:

549

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

393.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

393.457g/mol

Monoisotopic Mass:

393.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8