2-[(tert-butoxycarbonyl)amino]-3-[3-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)phenyl]propanoic acid

2-[(tert-butoxycarbonyl)amino]-3-[3-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)phenyl]propanoic acid

Formula: C30H32N2O6

SMILES: CC(C)(C)OC(=O)NC(CC1=CC(CNC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)=CC=C1)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-3-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}propanoic acid

InChI: InChI=1/C30H32N2O6/c1-30(2,3)38-29(36)32-26(27(33)34)16-19-9-8-10-20(15-19)17-31-28(35)37-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)

Composition: C (69.75%), H (6.24%), N (5.42%), O (18.58%)

Molar Mass: 516.594

Atom Count: 70

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	516.226036758
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	WPPUJXXHNINCPZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	142.54
Topological Polar Surface Area	113.96
Polarizability	56.53
Ring Count	4
Rotatable Bond Count	11

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C30H32N2O6		Quote Only