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(2S)-2-amino-5-[bis(phenylmethoxycarbonylamino)methylideneamino]pentanoic acid

Catalog No: FT-0772743

CAS No: 4125-79-5

Chemical Name: (2S)-2-amino-5-[bis(phenylmethoxycarbonylamino)methylideneamino]pentanoic acid
Molecular Formula: C22H26N4O6
Molecular Weight: 442.5
InChI Key: YPUMRXRWHYQIPH-UHFFFAOYSA-N
InChI: InChI=1S/C22H26N4O6/c23-18(19(27)28)12-7-13-26(22(30)32-15-17-10-5-2-6-11-17)20(24)25-21(29)31-14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15,23H2,(H,27,28)(H2,24,25,29)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	N/A
CAS:	4125-79-5
MF:	C22H26N4O6
Density:	N/A
Melting_Point:	N/A
Product_Name:	2-amino-5-[phenylmethoxycarbonyl-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]pentanoic acid
Flash_Point:	N/A
FW:	442.46500

PSA:	159.32000
MF:	C22H26N4O6
LogP:	3.49640
Computational_Chemistry:	['1. XlogP :05 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :3 ', '6. TPSA 158 ', '7. Heavy Atom Count :32 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :644 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Exact_Mass:	442.18500
FW:	442.46500