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

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

CAS: 460751-70-6

Formula: C27H24N2O4

SMILES: CC1=C(C[C@H](NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C(O)=O)C2=CC=CC=C2N1

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

InChI: InChI=1S/C27H24N2O4/c1-16-22(21-12-6-7-13-24(21)28-16)14-25(26(30)31)29-27(32)33-15-23-19-10-4-2-8-17(19)18-9-3-5-11-20(18)23/h2-13,23,25,28H,14-15H2,1H3,(H,29,32)(H,30,31)/t25-/m0/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 3
InChIKey MMPTVKMTZAMBFI-VWLOTQADSA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.43
Topological Polar Surface Area 91.42
Polarizability 50.59
Ring Count 5
Rotatable Bond Count 7

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