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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoic acid

CAS: 116611-64-4

Formula: C21H19N3O4

SMILES: OC(=O)[C@H](CC1=CNC=N1)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1H-imidazol-4-yl)propanoic acid

InChI: InChI=1S/C21H19N3O4/c25-20(26)19(9-13-10-22-12-23-13)24-21(27)28-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10,12,18-19H,9,11H2,(H,22,23)(H,24,27)(H,25,26)/t19-/m0/s1

Composition: C (66.83%), H (5.07%), N (11.13%), O (16.96%)

Molar Mass: 377.4

Atom Count: 47

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 377.137556104
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey SIRPVCUJLVXZPW-IBGZPJMESA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.57
Topological Polar Surface Area 104.31
Polarizability 40.4
Ring Count 4
Rotatable Bond Count 7

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