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

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

CAS: 95753-56-3

Formula: C24H22N2O4

SMILES: NC1=CC=C(C[C@H](NC(=O)OCC2C3=CC=CC=C3C3=C2C=CC=C3)C(O)=O)C=C1

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

InChI: InChI=1S/C24H22N2O4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14,25H2,(H,26,29)(H,27,28)/t22-/m0/s1

Composition: C (71.63%), H (5.51%), N (6.96%), O (15.90%)

Molar Mass: 402.45

Atom Count: 52

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 402.157957196
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey VALNSJHHRPSUDO-QFIPXVFZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.9
Topological Polar Surface Area 101.65
Polarizability 44.73
Ring Count 4
Rotatable Bond Count 7

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