Text Search
Structure Search

3-{[(benzyloxy)carbonyl]amino}-7-[(tert-butoxycarbonyl)amino]heptanoic acid

3-{[(benzyloxy)carbonyl]amino}-7-[(tert-butoxycarbonyl)amino]heptanoic acid

Formula: C20H30N2O6

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

IUPAC: 3-{[(benzyloxy)carbonyl]amino}-7-{[(tert-butoxy)carbonyl]amino}heptanoic acid

InChI: InChI=1/C20H30N2O6/c1-20(2,3)28-18(25)21-12-8-7-11-16(13-17(23)24)22-19(26)27-14-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)

Composition: C (60.90%), H (7.67%), N (7.10%), O (24.34%)

Molar Mass: 394.468

Atom Count: 58

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 394.210386694
Formal Charge 0
FSP3 0.55
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey FILVPJFCVOSPHX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.99
Topological Polar Surface Area 113.96
Polarizability 40.48
Ring Count 1
Rotatable Bond Count 13

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C20H30N2O6 Quote Only