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(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(1-methylindol-3-yl)propanoic acid

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(1-methylindol-3-yl)propanoic acid

CAS: 168471-22-5

Formula: C27H24N2O4

SMILES: CN1C=C(C[C@@H](NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C(O)=O)C2=CC=CC=C12

IUPAC: (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1-methyl-1H-indol-3-yl)propanoic acid

InChI: InChI=1S/C27H24N2O4/c1-29-15-17(18-8-6-7-13-25(18)29)14-24(26(30)31)28-27(32)33-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-13,15,23-24H,14,16H2,1H3,(H,28,32)(H,30,31)/t24-/m1/s1

Composition: C (73.62%), H (5.49%), N (6.36%), O (14.53%)

Molar Mass: 440.499

Atom Count: 57

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 440.173607261
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey GDPXIUSEXJJUGT-XMMPIXPASA-N
Lipinski's Rule of Five
Molar Refractivity 125.18
Topological Polar Surface Area 80.56
Polarizability 50.58
Ring Count 5
Rotatable Bond Count 7

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