Text Search
Structure Search

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(3-methylphenyl)butanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(3-methylphenyl)butanoic acid

CAS: 1260594-53-3

Formula: C26H25NO4

SMILES: CC1=CC(CC[C@H](NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C(O)=O)=CC=C1

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

InChI: InChI=1S/C26H25NO4/c1-17-7-6-8-18(15-17)13-14-24(25(28)29)27-26(30)31-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-12,15,23-24H,13-14,16H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1

Composition: C (75.16%), H (6.07%), N (3.37%), O (15.40%)

Molar Mass: 415.489

Atom Count: 56

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 415.178358289
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ACGCQDJLKBTGTG-DEOSSOPVSA-N
Lipinski's Rule of Five
Molar Refractivity 118.84
Topological Polar Surface Area 75.63
Polarizability 47.21
Ring Count 4
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 1260594-53-3 Quote Only
Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1260594-53-3 $311.04-$723.84$311.04$482.88$723.84
Request Quote