Text Search
Structure Search

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

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

CAS: 53934-75-1

Formula: C22H26N4O6

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

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

InChI: InChI=1/C22H26N4O6/c23-20(26-22(30)32-15-17-10-5-2-6-11-17)24-13-7-12-18(19(27)28)25-21(29)31-14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,25,29)(H,27,28)(H3,23,24,26,30)

Composition: C (59.72%), H (5.92%), N (12.66%), O (21.69%)

Molar Mass: 442.472

Atom Count: 58

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 442.185234573
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 5
InChIKey YWMQITGDXCEQSI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.28
Topological Polar Surface Area 149.84
Polarizability 44.58
Ring Count 2
Rotatable Bond Count 12

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <14 Days 53934-75-1 Quote Only