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tert-butyl (2S)-3-(5-acetyl-6-methylpyridin-2-yl)-2-[(tert-butoxycarbonyl)amino]propanoate

tert-butyl (2S)-3-(5-acetyl-6-methylpyridin-2-yl)-2-[(tert-butoxycarbonyl)amino]propanoate

Formula: C20H30N2O5

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

IUPAC: tert-butyl (2S)-3-(5-acetyl-6-methylpyridin-2-yl)-2-{[(tert-butoxy)carbonyl]amino}propanoate

InChI: InChI=1S/C20H30N2O5/c1-12-15(13(2)23)10-9-14(21-12)11-16(17(24)26-19(3,4)5)22-18(25)27-20(6,7)8/h9-10,16H,11H2,1-8H3,(H,22,25)/t16-/m0/s1

Composition: C (63.47%), H (7.99%), N (7.40%), O (21.14%)

Molar Mass: 378.469

Atom Count: 57

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 378.215472074
Formal Charge 0
FSP3 0.6
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KHNTVXJAXSMOHK-INIZCTEOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.82
Topological Polar Surface Area 94.59
Polarizability 39.73
Ring Count 1
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C20H30N2O5 $2,464.00-$5,460.00$2,464.00$5,460.00
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