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(2S)-5-(tert-butoxy)-4-(tert-butoxycarbonyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoic acid

(2S)-5-(tert-butoxy)-4-(tert-butoxycarbonyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoic acid

CAS: 111662-64-7

Formula: C29H35NO8

SMILES: CC(C)(C)OC(=O)C(C[C@H](NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O)C(=O)OC(C)(C)C

IUPAC: (2S)-5-(tert-butoxy)-4-[(tert-butoxy)carbonyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-oxopentanoic acid

InChI: InChI=1S/C29H35NO8/c1-28(2,3)37-25(33)21(26(34)38-29(4,5)6)15-23(24(31)32)30-27(35)36-16-22-19-13-9-7-11-17(19)18-12-8-10-14-20(18)22/h7-14,21-23H,15-16H2,1-6H3,(H,30,35)(H,31,32)/t23-/m0/s1

Composition: C (66.27%), H (6.71%), N (2.66%), O (24.35%)

Molar Mass: 525.598

Atom Count: 73

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 525.236267091
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XJRUHYXXHXECDI-QHCPKHFHSA-N
Lipinski's Rule of Five
Molar Refractivity 138.81
Topological Polar Surface Area 128.23
Polarizability 55.8
Ring Count 3
Rotatable Bond Count 13

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