Text Search
Structure Search

(2S)-3-{4-[2-(tert-butoxy)-2-oxoethoxy]phenyl}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2S)-3-{4-[2-(tert-butoxy)-2-oxoethoxy]phenyl}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 181951-92-8

Formula: C30H31NO7

SMILES: CC(C)(C)OC(=O)COC1=CC=C(C[C@H](NC(=O)OCC2C3=CC=CC=C3C3=C2C=CC=C3)C(O)=O)C=C1

IUPAC: (2S)-3-{4-[2-(tert-butoxy)-2-oxoethoxy]phenyl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C30H31NO7/c1-30(2,3)38-27(32)18-36-20-14-12-19(13-15-20)16-26(28(33)34)31-29(35)37-17-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,33,34)/t26-/m0/s1

Composition: C (69.62%), H (6.04%), N (2.71%), O (21.64%)

Molar Mass: 517.578

Atom Count: 69

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 517.210052342
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey HGZSQWKDOAHSLN-SANMLTNESA-N
Lipinski's Rule of Five
Molar Refractivity 140.32
Topological Polar Surface Area 111.16
Polarizability 56.08
Ring Count 4
Rotatable Bond Count 12

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 181951-92-8 Quote Only
Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 181951-92-8 $109.44-$479.04$109.44$164.16$479.04
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 181951-92-8 $19.67-$326.03$19.67$28.98$73.49$326.03
Request Quote
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 181951-92-8 $41.40$41.40
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 181951-92-8 $490.53$490.53
Request Quote