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

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

CAS: 204716-17-6

Formula: C25H22N2O5

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

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

InChI: InChI=1S/C25H22N2O5/c26-23(28)16-11-9-15(10-12-16)13-22(24(29)30)27-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H2,26,28)(H,27,31)(H,29,30)/t22-/m0/s1

Composition: C (69.76%), H (5.15%), N (6.51%), O (18.58%)

Molar Mass: 430.46

Atom Count: 54

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 430.152871816
Formal Charge 0
FSP3 0.16
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey MUNGLNMRFZUOTD-QFIPXVFZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.27
Topological Polar Surface Area 118.72
Polarizability 46.42
Ring Count 4
Rotatable Bond Count 8

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