benzyl (2S)-2-amino-6-[(tert-butoxycarbonyl)amino]hexanoate hydrochloride

benzyl (2S)-2-amino-6-[(tert-butoxycarbonyl)amino]hexanoate hydrochloride

CAS: 133170-57-7

Formula: C18H29ClN2O4

SMILES: Cl.CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (2S)-2-amino-6-{[(tert-butoxy)carbonyl]amino}hexanoate hydrochloride

InChI: InChI=1S/C18H28N2O4.ClH/c1-18(2,3)24-17(22)20-12-8-7-11-15(19)16(21)23-13-14-9-5-4-6-10-14;/h4-6,9-10,15H,7-8,11-13,19H2,1-3H3,(H,20,22);1H/t15-;/m0./s1

Composition: C (57.98%), H (7.84%), Cl (9.51%), N (7.51%), O (17.16%)

Molar Mass: 372.89

Atom Count: 54

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	372.1815851
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UIKRZZLJIDUJIB-RSAXXLAASA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.06
Topological Polar Surface Area	90.65
Polarizability	36.62
Ring Count	1
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	133170-57-7		$13.87-$2,737.63$13.87$22.70$65.57$113.49$272.38$721.29$2,737.63