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(2S)-4-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid

(2S)-4-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid

CAS: 7536-58-5

Formula: C16H21NO6

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

IUPAC: (2S)-4-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid

InChI: InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1

Composition: C (59.43%), H (6.55%), N (4.33%), O (29.69%)

Molar Mass: 323.345

Atom Count: 44

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 323.1368874
Formal Charge 0
FSP3 0.44
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SOHLZANWVLCPHK-LBPRGKRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.79
Topological Polar Surface Area 101.93
Polarizability 32.01
Ring Count 1
Rotatable Bond Count 9

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