tert-butyl (2S)-2-amino-6-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoate hydrochloride

tert-butyl (2S)-2-amino-6-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoate hydrochloride

CAS: 330795-57-8

Formula: C25H33ClN2O4

SMILES: Cl.CC(C)(C)OC(=O)[C@@H](N)CCCCNC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: tert-butyl (2S)-2-amino-6-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoate hydrochloride

InChI: InChI=1S/C25H32N2O4.ClH/c1-25(2,3)31-23(28)22(26)14-8-9-15-27-24(29)30-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21;/h4-7,10-13,21-22H,8-9,14-16,26H2,1-3H3,(H,27,29);1H/t22-;/m0./s1

Composition: C (65.14%), H (7.22%), Cl (7.69%), N (6.08%), O (13.88%)

Molar Mass: 461

Atom Count: 65

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	460.2128853
Formal Charge	0
FSP3	0.44
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ODVRYXVAUBMJLL-FTBISJDPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.46
Topological Polar Surface Area	90.65
Polarizability	48.68
Ring Count	3
Rotatable Bond Count	11

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