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(2R)-3-({3-[(tert-butoxycarbonyl)amino]propyl}sulfanyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2R)-3-({3-[(tert-butoxycarbonyl)amino]propyl}sulfanyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 173963-91-2

Formula: C26H32N2O6S

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

IUPAC: (2R)-3-[(3-{[(tert-butoxy)carbonyl]amino}propyl)sulfanyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C26H32N2O6S/c1-26(2,3)34-24(31)27-13-8-14-35-16-22(23(29)30)28-25(32)33-15-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,21-22H,8,13-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t22-/m0/s1

Composition: C (62.38%), H (6.44%), N (5.60%), O (19.18%), S (6.40%)

Molar Mass: 500.61

Atom Count: 67

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 500.198107932
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey VODQCWHZYBQNRK-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity 134.69
Topological Polar Surface Area 113.96
Polarizability 53.7
Ring Count 3
Rotatable Bond Count 13

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Purity LeadTime CAS PacketSize UnitPrice
96% <7 Days 173963-91-2 $31.05-$791.78$31.05$73.49$209.07$791.78
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 173963-91-2 $48.30-$460.00$48.30$460.00
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