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(2R)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

(2R)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

CAS: 1272755-33-5

Formula: C34H42N2O6

SMILES: CC(C)CC(NCCCC[C@@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O)=C1C(=O)CC(C)(C)CC1=O

IUPAC: (2R)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid

InChI: InChI=1S/C34H42N2O6/c1-21(2)17-28(31-29(37)18-34(3,4)19-30(31)38)35-16-10-9-15-27(32(39)40)36-33(41)42-20-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h5-8,11-14,21,26-27,35H,9-10,15-20H2,1-4H3,(H,36,41)(H,39,40)/t27-/m1/s1

Composition: C (71.06%), H (7.37%), N (4.87%), O (16.70%)

Molar Mass: 574.718

Atom Count: 84

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 574.30428708
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey PYCBVLUBTMHNPW-HHHXNRCGSA-N
Lipinski's Rule of Five
Molar Refractivity 162.22
Topological Polar Surface Area 121.8
Polarizability 63.77
Ring Count 4
Rotatable Bond Count 13

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