3-{[3-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoyl]oxy}-2-[(tert-butoxycarbonyl)amino]butanoic acid

3-{[3-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoyl]oxy}-2-[(tert-butoxycarbonyl)amino]butanoic acid

Formula: C31H40N2O9

SMILES: CC(OC(=O)C(COC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(NC(=O)OC(C)(C)C)C(O)=O

IUPAC: 3-{[3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]oxy}-2-{[(tert-butoxy)carbonyl]amino}butanoic acid

InChI: InChI=1/C31H40N2O9/c1-18(25(26(34)35)33-29(38)42-31(5,6)7)41-27(36)24(17-40-30(2,3)4)32-28(37)39-16-23-21-14-10-8-12-19(21)20-13-9-11-15-22(20)23/h8-15,18,23-25H,16-17H2,1-7H3,(H,32,37)(H,33,38)(H,34,35)

Composition: C (63.68%), H (6.90%), N (4.79%), O (24.63%)

Molar Mass: 584.666

Atom Count: 82

Heavy Atom Count: 42

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	584.273380876
Formal Charge	0
FSP3	0.48
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	YCWYIOBWFQMUSW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	152.52
Topological Polar Surface Area	149.49
Polarizability	61.33
Ring Count	3
Rotatable Bond Count	15

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C31H40N2O9		Quote Only