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

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

CAS: 127862-89-9

Formula: C18H19NO4

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

IUPAC: (2S)-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-/m0/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-INIZCTEOSA-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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