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2,5-dioxopyrrolidin-1-yl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate

2,5-dioxopyrrolidin-1-yl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate

CAS: 3496-11-5

Formula: C17H20N2O6

SMILES: CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate

InChI: InChI=1S/C17H20N2O6/c1-11(2)15(16(22)25-19-13(20)8-9-14(19)21)18-17(23)24-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,18,23)/t15-/m0/s1

Composition: C (58.61%), H (5.79%), N (8.04%), O (27.56%)

Molar Mass: 348.355

Atom Count: 45

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 348.132136372
Formal Charge 0
FSP3 0.41
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MFAOBGXYLNLLJE-HNNXBMFYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.73
Topological Polar Surface Area 102.01
Polarizability 33.92
Ring Count 2
Rotatable Bond Count 8

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