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

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

CAS: 254101-11-6

Formula: C17H25NO5

SMILES: C[C@H](OCC1=CC=CC=C1)[C@H](CC(O)=O)NC(=O)OC(C)(C)C

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

InChI: InChI=1S/C17H25NO5/c1-12(22-11-13-8-6-5-7-9-13)14(10-15(19)20)18-16(21)23-17(2,3)4/h5-9,12,14H,10-11H2,1-4H3,(H,18,21)(H,19,20)/t12-,14-/m0/s1

Composition: C (63.14%), H (7.79%), N (4.33%), O (24.74%)

Molar Mass: 323.389

Atom Count: 48

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 323.173272909
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FYZBABHQLFFCHH-JSGCOSHPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.32
Topological Polar Surface Area 84.86
Polarizability 33.72
Ring Count 1
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 254101-11-6 $21.44-$92.05$21.44$35.31$92.05
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