tert-butyl 3-{2-amino-3-[3-(tert-butoxy)-3-oxopropoxy]-2-{[3-(tert-butoxy)-3-oxopropoxy]methyl}propoxy}propanoate

tert-butyl 3-{2-amino-3-[3-(tert-butoxy)-3-oxopropoxy]-2-{[3-(tert-butoxy)-3-oxopropoxy]methyl}propoxy}propanoate

CAS: 175724-30-8

Formula: C25H47NO9

SMILES: CC(C)(C)OC(=O)CCOCC(N)(COCCC(=O)OC(C)(C)C)COCCC(=O)OC(C)(C)C

IUPAC: tert-butyl 3-{2-amino-3-[3-(tert-butoxy)-3-oxopropoxy]-2-{[3-(tert-butoxy)-3-oxopropoxy]methyl}propoxy}propanoate

InChI: InChI=1S/C25H47NO9/c1-22(2,3)33-19(27)10-13-30-16-25(26,17-31-14-11-20(28)34-23(4,5)6)18-32-15-12-21(29)35-24(7,8)9/h10-18,26H2,1-9H3

Composition: C (59.38%), H (9.37%), N (2.77%), O (28.48%)

Molar Mass: 505.649

Atom Count: 82

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	505.325082097
Formal Charge	0
FSP3	0.88
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	KPXODPHVWBQJEG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	130.69
Topological Polar Surface Area	132.61
Polarizability	52.75
Ring Count	0
Rotatable Bond Count	21

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