Text Search
Structure Search

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

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

CAS: 266999-22-8

Formula: C25H24N2O6S

SMILES: CS(=O)(=O)NC1=CC=C(C[C@H](NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C(O)=O)C=C1

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

InChI: InChI=1S/C25H24N2O6S/c1-34(31,32)27-17-12-10-16(11-13-17)14-23(24(28)29)26-25(30)33-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23,27H,14-15H2,1H3,(H,26,30)(H,28,29)/t23-/m0/s1

Composition: C (62.49%), H (5.03%), N (5.83%), O (19.98%), S (6.67%)

Molar Mass: 480.54

Atom Count: 58

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 480.135507675
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey XUHUSTBPCQQMFH-QHCPKHFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.88
Topological Polar Surface Area 121.8
Polarizability 50.72
Ring Count 4
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 266999-22-8 $153.60-$344.64$153.60$230.40$344.64
Request Quote