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2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(N'-nitrocarbamimidamido)pentanoic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(N'-nitrocarbamimidamido)pentanoic acid

Formula: C21H23N5O6

SMILES: NC(NCCCC(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O)=N[N+]([O-])=O

IUPAC: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-(N''-nitrocarbamimidamido)pentanoic acid

InChI: InChI=1/C21H23N5O6/c22-20(25-26(30)31)23-11-5-10-18(19(27)28)24-21(29)32-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,24,29)(H,27,28)(H3,22,23,25)

Composition: C (57.14%), H (5.25%), N (15.86%), O (21.75%)

Molar Mass: 441.444

Atom Count: 55

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 441.164833481
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey RXMHIKWOZKQXCJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.49
Topological Polar Surface Area 169.18
Polarizability 44.48
Ring Count 3
Rotatable Bond Count 10

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Purity LeadTime Formula UnitPrice
98% <10 Days C21H23N5O6 Quote Only