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

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

CAS: 1423017-87-1

Formula: C30H34N2O6

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

IUPAC: (2S)-2-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-5-({[(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)32-24(28(35)36)13-8-14-31-29(37)38-17-23-21-11-6-4-9-19(21)20-10-5-7-12-22(20)23/h4-7,9-12,23-24,32H,8,13-17H2,1-3H3,(H,31,37)(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 GHZOEWCLMLYIMI-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% <5 Days 1423017-87-1 $52.96-$476.66$52.96$137.45$476.66
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