(2S,​3S)​-​2,​3-​Dihydroxybutanedioat​e 5-​[(2S)​-​2-Aminopropyl]​-​1-​[3-​(benzoyloxy)​propyl]​-​2,​3-​dihydro-1H-​indole-​7-​carbonitrile

分析物名称

(2S,3S)-2,3-Dihydroxybutanedioate 5-[(2S)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile

CAS登记号

1646626-51-8

分子式

C22H25N3O2 • C4H6O6

分子量

513.54

精确质量测定

513.21

SMILES

O=C(C1=CC=CC=C1)OCCCN2CCC3=C2C(C#N)=CC(C[C@H](C)N)=C3.OC([C@H]([C@@H](C(O)=O)O)O)=O

InChI

InChI=1S/C22H25N3O2.C4H6O6/c1-16(24)12-17-13-19-8-10-25(21(19)20(14-17)15-23)9-5-11-27-22(26)18-6-3-2-4-7-18;5-1(3(7)8)2(6)4(9)10/h2-4,6-7,13-14,16H,5,8-12,24H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1

IUPAC

(S)-3-(5-(2-aminopropyl)-7-cyanoindolin-1-yl)propyl benzoate (2S,3S)-2,3-dihydroxysuccinic acid

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat