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

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

CAS: 501015-26-5

Formula: C25H23NO4

SMILES: CC1=CC=CC=C1[C@H](CC(O)=O)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

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

InChI: InChI=1S/C25H23NO4/c1-16-8-2-3-9-17(16)23(14-24(27)28)26-25(29)30-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1

Composition: C (74.80%), H (5.77%), N (3.49%), O (15.94%)

Molar Mass: 401.462

Atom Count: 53

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 401.162708225
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WLJJHZZZEHMKOE-QHCPKHFHSA-N
Lipinski's Rule of Five
Molar Refractivity 114.11
Topological Polar Surface Area 75.63
Polarizability 45.36
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 501015-26-5 $114.75-$1,569.95$114.75$195.46$351.82$1,569.95
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