2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)-4-methylpentanoic acid

2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)-4-methylpentanoic acid

Formula: C20H30N2O5

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

IUPAC: 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)-4-methylpentanoic acid

InChI: InChI=1/C20H30N2O5/c1-13(2)10-16(18(23)21-17(19(24)25)11-14(3)4)22-20(26)27-12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)

Composition: C (63.47%), H (7.99%), N (7.40%), O (21.14%)

Molar Mass: 378.469

Atom Count: 57

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	378.215472074
Formal Charge	0
FSP3	0.55
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	XGJGWYRHLPSMLW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.82
Topological Polar Surface Area	104.73
Polarizability	39.76
Ring Count	1
Rotatable Bond Count	11

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C20H30N2O5		Quote Only