1-benzyl 6-ethyl 2-[(tert-butoxycarbonyl)amino]-4-oxohexanedioate

1-benzyl 6-ethyl 2-[(tert-butoxycarbonyl)amino]-4-oxohexanedioate

Formula: C20H27NO7

SMILES: CCOC(=O)CC(=O)CC(NC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

IUPAC: 1-benzyl 6-ethyl 2-{[(tert-butoxy)carbonyl]amino}-4-oxohexanedioate

InChI: InChI=1/C20H27NO7/c1-5-26-17(23)12-15(22)11-16(21-19(25)28-20(2,3)4)18(24)27-13-14-9-7-6-8-10-14/h6-10,16H,5,11-13H2,1-4H3,(H,21,25)

Composition: C (61.06%), H (6.92%), N (3.56%), O (28.47%)

Molar Mass: 393.436

Atom Count: 55

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	393.178752213
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QMFIAXPHJVQYIX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.2
Topological Polar Surface Area	108
Polarizability	39.69
Ring Count	1
Rotatable Bond Count	13

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C20H27NO7		Quote Only