(2R)-6-[(tert-butoxycarbonyl)amino]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methylhexanoic acid

(2R)-6-[(tert-butoxycarbonyl)amino]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methylhexanoic acid

CAS: 1315449-94-5

Formula: C27H34N2O6

SMILES: CC(C)(C)OC(=O)NCCCC[C@@](C)(NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O

IUPAC: (2R)-6-{[(tert-butoxy)carbonyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylhexanoic acid

InChI: InChI=1S/C27H34N2O6/c1-26(2,3)35-24(32)28-16-10-9-15-27(4,23(30)31)29-25(33)34-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22H,9-10,15-17H2,1-4H3,(H,28,32)(H,29,33)(H,30,31)/t27-/m1/s1

Composition: C (67.20%), H (7.10%), N (5.81%), O (19.89%)

Molar Mass: 482.577

Atom Count: 69

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	482.241686823
Formal Charge	0
FSP3	0.44
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	MYQXEVZHWDILHG-HHHXNRCGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	131.48
Topological Polar Surface Area	113.96
Polarizability	52.47
Ring Count	3
Rotatable Bond Count	12

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