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(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(phenylsulfanyl)propanoic acid

(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(phenylsulfanyl)propanoic acid

CAS: 159453-24-4

Formula: C17H17NO4S

SMILES: OC(=O)[C@H](CSC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1

IUPAC: (2R)-2-{[(benzyloxy)carbonyl]amino}-3-(phenylsulfanyl)propanoic acid

InChI: InChI=1S/C17H17NO4S/c19-16(20)15(12-23-14-9-5-2-6-10-14)18-17(21)22-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1

Composition: C (61.62%), H (5.17%), N (4.23%), O (19.31%), S (9.67%)

Molar Mass: 331.39

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 331.087829205
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ISBOGFMUFMJWEP-HNNXBMFYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.48
Topological Polar Surface Area 75.63
Polarizability 34.59
Ring Count 2
Rotatable Bond Count 8

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