methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-[4-(tert-butoxy)phenyl]propanoate

methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-[4-(tert-butoxy)phenyl]propanoate

CAS: 5068-29-1

Formula: C22H27NO5

SMILES: COC(=O)[C@H](CC1=CC=C(OC(C)(C)C)C=C1)NC(=O)OCC1=CC=CC=C1

IUPAC: methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-[4-(tert-butoxy)phenyl]propanoate

InChI: InChI=1S/C22H27NO5/c1-22(2,3)28-18-12-10-16(11-13-18)14-19(20(24)26-4)23-21(25)27-15-17-8-6-5-7-9-17/h5-13,19H,14-15H2,1-4H3,(H,23,25)/t19-/m0/s1

Composition: C (68.55%), H (7.06%), N (3.63%), O (20.75%)

Molar Mass: 385.46

Atom Count: 55

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	385.188922973
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IPRNNTJYTNRIDM-IBGZPJMESA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.83
Topological Polar Surface Area	73.86
Polarizability	41.68
Ring Count	2
Rotatable Bond Count	10

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	5068-29-1		$23.96-$340.47$23.96$83.23$340.47