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(2S)-5-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid

(2S)-5-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid

CAS: 269062-80-8

Formula: C30H34N2O6

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

IUPAC: (2S)-5-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid

InChI: InChI=1S/C30H34N2O6/c1-18(27-25(33)15-30(2,3)16-26(27)34)31-14-8-13-24(28(35)36)32-29(37)38-17-23-21-11-6-4-9-19(21)20-10-5-7-12-22(20)23/h4-7,9-12,23-24,31H,8,13-17H2,1-3H3,(H,32,37)(H,35,36)/t24-/m0/s1

Composition: C (69.48%), H (6.61%), N (5.40%), O (18.51%)

Molar Mass: 518.61

Atom Count: 72

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 518.241686823
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey RSDSRRQRYNCVMT-DEOSSOPVSA-N
Lipinski's Rule of Five
Molar Refractivity 143.94
Topological Polar Surface Area 121.8
Polarizability 56.41
Ring Count 4
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 269062-80-8 $14.95-$1,636.45$14.95$19.55$1,636.45
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98% <7 Days 269062-80-8 $10.35-$684.14$10.35$11.39$36.23$170.78$327.06$684.14
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98% <5 Days 269062-80-8 $20.18-$1,867.54$20.18$25.22$495.57$958.36$1,867.54
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