5-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-5-oxopentanoic acid

5-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-5-oxopentanoic acid

CAS: 5680-86-4

Formula: C20H21NO6

SMILES: OC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1

IUPAC: 5-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-5-oxopentanoic acid

InChI: InChI=1/C20H21NO6/c22-18(26-13-15-7-3-1-4-8-15)12-11-17(19(23)24)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,23,24)

Composition: C (64.68%), H (5.70%), N (3.77%), O (25.85%)

Molar Mass: 371.389

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	371.1368874
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	TWIVXHQQTRSWGO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.35
Topological Polar Surface Area	101.93
Polarizability	37.87
Ring Count	2
Rotatable Bond Count	11

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