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2,5-dioxopyrrolidin-1-yl (2S)-2,6-bis[(tert-butoxycarbonyl)amino]hexanoate

2,5-dioxopyrrolidin-1-yl (2S)-2,6-bis[(tert-butoxycarbonyl)amino]hexanoate

CAS: 30189-36-7

Formula: C20H33N3O8

SMILES: CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl (2S)-2,6-bis({[(tert-butoxy)carbonyl]amino})hexanoate

InChI: InChI=1S/C20H33N3O8/c1-19(2,3)29-17(27)21-12-8-7-9-13(22-18(28)30-20(4,5)6)16(26)31-23-14(24)10-11-15(23)25/h13H,7-12H2,1-6H3,(H,21,27)(H,22,28)/t13-/m0/s1

Composition: C (54.16%), H (7.50%), N (9.47%), O (28.86%)

Molar Mass: 443.497

Atom Count: 64

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 443.226765035
Formal Charge 0
FSP3 0.75
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey IQVLXQGNLCPZCL-ZDUSSCGKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.11
Topological Polar Surface Area 140.34
Polarizability 42.9
Ring Count 1
Rotatable Bond Count 13

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