Text Search
Structure Search

(2S)-4-[(3-ethylpentan-3-yl)oxy]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoic acid

(2S)-4-[(3-ethylpentan-3-yl)oxy]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoic acid

CAS: 1799418-01-1

Formula: C26H31NO6

SMILES: CCC(CC)(CC)OC(=O)C[C@H](NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O

IUPAC: (2S)-4-[(3-ethylpentan-3-yl)oxy]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanoic acid

InChI: InChI=1S/C26H31NO6/c1-4-26(5-2,6-3)33-23(28)15-22(24(29)30)27-25(31)32-16-21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-14,21-22H,4-6,15-16H2,1-3H3,(H,27,31)(H,29,30)/t22-/m0/s1

Composition: C (68.86%), H (6.89%), N (3.09%), O (21.17%)

Molar Mass: 453.535

Atom Count: 64

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 453.215137722
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey QBKTZFYNWFWALD-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity 122.76
Topological Polar Surface Area 101.93
Polarizability 49.49
Ring Count 3
Rotatable Bond Count 12

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1799418-01-1 $175.68-$792.00$175.68$264.00$792.00
Request Quote