D-​Phenylalanyl-​(2S)​-​2-​piperidinecarbonyl-​N-​(4-​nitrophenyl)​-L-​argininamide Dihydrochloride

Analyte Name

D-Phenylalanyl-(2S)-2-piperidinecarbonyl-N-(4-nitrophenyl)-L-argininamide Dihydrochloride

CAS Number

62354-65-8

Molecular Formula

C27H36N8O5 • 2HCl

Molecular Weight

625.55

Accurate Mass

624.24

SMILES

O=C(N[C@H](C(NC1=CC=C(C=C1)[N+]([O-])=O)=O)CCCNC(N)=N)[C@@H]2CCCCN2C([C@@H](CC3=CC=CC=C3)N)=O.Cl.Cl

InChI

InChI=1S/C27H36N8O5.2ClH/c28-21(17-18-7-2-1-3-8-18)26(38)34-16-5-4-10-23(34)25(37)33-22(9-6-15-31-27(29)30)24(36)32-19-11-13-20(14-12-19)35(39)40;;/h1-3,7-8,11-14,21-23H,4-6,9-10,15-17,28H2,(H,32,36)(H,33,37)(H4,29,30,31);2*1H/t21-,22+,23+;;/m1../s1

IUPAC

(S)-1-(D-phenylalanyl)-N-((S)-5-guanidino-1-((4-nitrophenyl)amino)-1-oxopentan-2-yl)piperidine-2-carboxamide dihydrochloride

Alternate CAS Number

64815-81-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat