Nazwa analitu

(2S,4S,5S,7R)-Aliskiren Fumarate

Numer CAS

1630036-82-6

Wzór cząsteczkowy

C64H110N6O16

Masa cząsteczkowa

1219.59

Dokładna masa

1218.8

SMILES

N[C@H]([C@@H](O)C[C@@H](C(C)C)C(NCC(C)(C)C(N)=O)=O)C[C@H](C(C)C)CC1=CC(OCCCOC)=C(OC)C=C1.OC(/C=C/C(O)=O)=O.N[C@H]([C@@H](O)C[C@@H](C(C)C)C(NCC(C)(C)C(N)=O)=O)C[C@H](C(C)C)CC2=CC(OCCCOC)=C(OC)C=C2

InChI

InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23+,24+,25+;/m11./s1

IUPAC

(2S,4S,5S,7R)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide hemifumarate

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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