Name: Name:3-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]sulfanyl}propanoic acid
Brand: Angene
SKU: AG01EKY4
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3-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]sulfanyl}propanoic acid

CAS No.:

201604-70-8

Catalog Number:

AG01EKY4

Molecular Formula:

C20H21NO4S

Molecular Weight:

371.4500

Catalog Number:

AG01EKY4

Chemical Name:

3-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]sulfanyl}propanoic acid

CAS Number:

201604-70-8

Molecular Formula:

C20H21NO4S

Molecular Weight:

371.4500

MDL Number:

MFCD31629238

IUPAC Name:

3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylsulfanyl]propanoic acid

InChI:

InChI=1S/C20H21NO4S/c22-19(23)9-11-26-12-10-21-20(24)25-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,21,24)(H,22,23)

InChI Key:

SAHKDFFMEDMFOL-UHFFFAOYSA-N

SMILES:

OC(=O)CCSCCNC(=O)OCC1c2ccccc2c2c1cccc2

Complexity:

464

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

371.119g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

371.451g/mol

Monoisotopic Mass:

371.119g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2