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

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

CAS: 204384-73-6

Formula: C27H27NO4

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

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

InChI: InChI=1S/C27H27NO4/c1-17(2)19-13-11-18(12-14-19)15-25(26(29)30)28-27(31)32-16-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,17,24-25H,15-16H2,1-2H3,(H,28,31)(H,29,30)/t25-/m0/s1

Composition: C (75.50%), H (6.34%), N (3.26%), O (14.90%)

Molar Mass: 429.516

Atom Count: 59

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 429.194008353
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CYWZFTHNAOVKQG-VWLOTQADSA-N
Lipinski's Rule of Five
Molar Refractivity 123.39
Topological Polar Surface Area 75.63
Polarizability 49.05
Ring Count 4
Rotatable Bond Count 8

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