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(2R,4R)-5-{[1,1'-biphenyl]-4-yl}-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid

(2R,4R)-5-{[1,1'-biphenyl]-4-yl}-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid

CAS: 1012341-56-8

Formula: C23H29NO4

SMILES: C[C@H](C[C@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)OC(C)(C)C)C(O)=O

IUPAC: (2R,4R)-5-{[1,1'-biphenyl]-4-yl}-4-{[(tert-butoxy)carbonyl]amino}-2-methylpentanoic acid

InChI: InChI=1S/C23H29NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t16-,20-/m1/s1

Composition: C (72.04%), H (7.62%), N (3.65%), O (16.69%)

Molar Mass: 383.488

Atom Count: 57

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 383.209658418
Formal Charge 0
FSP3 0.39
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YNELJETWNMPEEH-OXQOHEQNSA-N
Lipinski's Rule of Five
Molar Refractivity 109.08
Topological Polar Surface Area 75.63
Polarizability 43.95
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1012341-56-8 $676.20-$2,278.15$676.20$1,125.85$2,278.15
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1012341-56-8 $816.50-$2,676.05$816.50$1,338.60$2,676.05
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