Name: Name:(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid
Brand: Angene
SKU: AG007M6S
Rating: 90 (10 reviews)

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid

CAS No.:

270065-90-2

Catalog Number:

AG007M6S

Molecular Formula:

C26H22N2O4

Molecular Weight:

426.4639

Catalog Number:

AG007M6S

Chemical Name:

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid

CAS Number:

270065-90-2

Molecular Formula:

C26H22N2O4

Molecular Weight:

426.4639

MDL Number:

MFCD01861080

IUPAC Name:

(3S)-4-(4-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

InChI:

InChI=1S/C26H22N2O4/c27-15-18-11-9-17(10-12-18)13-19(14-25(29)30)28-26(31)32-16-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,19,24H,13-14,16H2,(H,28,31)(H,29,30)/t19-/m0/s1

InChI Key:

YEHSIHZGTLVMLZ-IBGZPJMESA-N

SMILES:

N#Cc1ccc(cc1)C[C@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC(=O)O

Complexity:

686

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

426.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

426.472g/mol

Monoisotopic Mass:

426.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3