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(2R)-2-{[(benzyloxy)carbonyl]amino}-4-phenylbutanoic acid

(2R)-2-{[(benzyloxy)carbonyl]amino}-4-phenylbutanoic acid

CAS: 138812-70-1

Formula: C18H19NO4

SMILES: OC(=O)[C@@H](CCC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1

IUPAC: (2R)-2-{[(benzyloxy)carbonyl]amino}-4-phenylbutanoic acid

InChI: InChI=1S/C18H19NO4/c20-17(21)16(12-11-14-7-3-1-4-8-14)19-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/t16-/m1/s1

Composition: C (69.00%), H (6.11%), N (4.47%), O (20.42%)

Molar Mass: 313.353

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 313.131408096
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey GUWSQYJXSRIJCI-MRXNPFEDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.4
Topological Polar Surface Area 75.63
Polarizability 33.38
Ring Count 2
Rotatable Bond Count 8

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