C42H52N5O9P Cytidine, N-acetyl-5 ′ -O- [bis (4-مېتوكسىفېن) فېنىلمېتىل] ACI)

Canonical SMILES

N # CCCOP (OC1C (OC (N2C = CC (= NC2 = O) NC) = C) C1OC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C) C) C (C) C.

Isomeric SMILES

C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C) C (C) C) OCCC # N) [C @@ H] (OC) [C @@ H] (O1) N2C (= O) N = C (NC (C) = O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4 ) C5 = CC = CC = C5

InChI

InChI = 1S / C42H52N5O9P / c1-28 (2) 47 (29 (3) 4) 57 (54-26-12-24-43) 56-38-36 (55-40 (39 (38) 52-8)) 46-25-23-37 (44-30 (5) 48) 45-41 (46) 49) 27-53 -42 (31-13-10-9-11-14-31,32-15-19-) 34 (50-6) 20-16-32) 33-17-21-35 (51-7) 22-18-33 / h9-11,13-23,25,28-29,36,38-40H, 12,26-27H2,1-8H3, (H, 44,45,48,49) / t36-, 38-, 39-, 40-, 57? / M1 / ​​s1

InChI Key

WNWUMIPFLOKTEZ-UAQIPLLRSA-N

1 بۇ ماددىنىڭ باشقا ئىسمى

Cytidine,N-acetyl-5 ′ -O- [bis (4-metoxyphenyl) فېنىلمېتىل] -2 ′ -O-مېتىل- ، 3 ′ - [2-سىئانوئېتىل بىس (1-مېتىلېتىل) فوسفورامىد] [9CI)

خاسلىقى بار
Biological
خىمىيىلىك
Lipinski
قۇرۇلما مۇناسىۋەتلىك