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2-[2-(2-amino-5-carbamimidamidopentanamido)acetamido]butanedioic acid

2-[2-(2-amino-5-carbamimidamidopentanamido)acetamido]butanedioic acid

CAS: 99896-85-2

Formula: C12H22N6O6

SMILES: NC(CCCNC(N)=N)C(=O)NCC(=O)NC(CC(O)=O)C(O)=O

IUPAC: 2-[2-(2-amino-5-carbamimidamidopentanamido)acetamido]butanedioic acid

InChI: InChI=1/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)

Composition: C (41.62%), H (6.40%), N (24.27%), O (27.72%)

Molar Mass: 346.344

Atom Count: 46

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 346.160082452
Formal Charge 0
FSP3 0.58
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 8
InChIKey IYMAXBFPHPZYIK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 90.06
Topological Polar Surface Area 220.72
Polarizability 31.14
Ring Count 0
Rotatable Bond Count 11

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Purity LeadTime CAS UnitPrice
98% <10 Days 99896-85-2 Quote Only