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(3S)-3-[(tert-butoxycarbonyl)amino]-4,4-diphenylbutanoic acid

(3S)-3-[(tert-butoxycarbonyl)amino]-4,4-diphenylbutanoic acid

CAS: 190190-50-2

Formula: C21H25NO4

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

IUPAC: (3S)-3-{[(tert-butoxy)carbonyl]amino}-4,4-diphenylbutanoic acid

InChI: InChI=1S/C21H25NO4/c1-21(2,3)26-20(25)22-17(14-18(23)24)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,19H,14H2,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1

Composition: C (70.96%), H (7.09%), N (3.94%), O (18.01%)

Molar Mass: 355.434

Atom Count: 51

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 355.178358289
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YLGVWWIOFMUJSK-KRWDZBQOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.18
Topological Polar Surface Area 75.63
Polarizability 38.9
Ring Count 2
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 190190-50-2 $171.81-$290.84$171.81$290.84
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99% <6 Days 190190-50-2 $111.55-$2,631.20$111.55$205.85$361.10$736.00$2,631.20
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99% <5 Days 190190-50-2 $165.19-$3,332.82$165.19$279.94$470.35$954.58$3,332.82
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