Name: Name:3-(4-chloro-1H-pyrazol-1-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
Brand: Angene
SKU: AG01EKNX
Rating: 90 (10 reviews)

3-(4-chloro-1H-pyrazol-1-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

CAS No.:

2137517-20-3

Catalog Number:

AG01EKNX

Molecular Formula:

C21H18ClN3O4

Molecular Weight:

411.8383

Catalog Number:

AG01EKNX

Chemical Name:

3-(4-chloro-1H-pyrazol-1-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

CAS Number:

2137517-20-3

Molecular Formula:

C21H18ClN3O4

Molecular Weight:

411.8383

MDL Number:

MFCD31558693

IUPAC Name:

3-(4-chloropyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

InChI:

InChI=1S/C21H18ClN3O4/c22-13-9-23-25(10-13)11-19(20(26)27)24-21(28)29-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18-19H,11-12H2,(H,24,28)(H,26,27)

InChI Key:

COAZNNHPIIKAGL-UHFFFAOYSA-N

SMILES:

O=C(NC(C(=O)O)Cn1ncc(c1)Cl)OCC1c2ccccc2c2c1cccc2

Complexity:

585

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

411.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

411.842g/mol

Monoisotopic Mass:

411.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3