Chem
J-GLOBAL ID:201707015521692391
Nikkaji number:J3.628.480C
MT-1
N,N′-[オキシビス(エチレンオキシエチレンオキシエチレンオキシエチレン)]ビス[(6S)-4-(4-クロロフェニル)-2,3,9-トリメチル-6H-チエノ[3,2-f][1,2,4]トリアゾロ[4,3-a][1,4]ジアゼピン-6-アセトアミド]
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C54 H66 Cl2 N10 O9 S2
Molecular formula furigana:
C54-H66-CL2-N10-O9-S2
Molecular weight:
1134.200
InChI:
InChI=1S/C54H66Cl2N10O9S2/c1-33-35(3)76-53-47(33)49(39-7-11-41(55)12-8-39)59-43(51-63-61-37(5)65(51)53)31-45(67)57-15-17-69-19-21-71-23-25-73-27-29-75-30-28-74-26-24-72-22-20-70-18-16-58-46(68)32-44-52-64-62-38(6)66(52)54-48(34(2)36(4)77-54)50(60-44)40-9-13-42(56)14-10-40/h7-14,43-44H,15-32H2,1-6H3,(H,57,67)(H,58,68)/t43-,44-/m0/s1
InChI key:
JNSLBXJNVHYNNW-CXNSMIOJSA-N
SMILES:
Cc1sc2c(c1C)C(=N[C@@H](CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c3c(C)c(C)sc3n3c(C)nnc13)c1ccc(Cl)cc1)c1nnc(C)n21)c1ccc(Cl)cc1
Systematic name (3):
N,N′-[オキシビス(エチレンオキシエチレンオキシエチレンオキシエチレン)]ビス[(6S)-4-(4-クロロフェニル)-2,3,9-トリメチル-6H-チエノ[3,2-f][1,2,4]トリアゾロ[4,3-a][1,4]ジアゼピン-6-アセトアミド]
2-[(9S)-7-(4-クロロフェニル)-4,5,13-トリメチル-3-チア-1,8,11,12-テトラアザトリシクロ[8.3.0.02,6 ]トリデカ-2(6),4,7,10,12-ペンタエン-9-イル]-N-(23-{2-[(9S)-7-(4-クロロフェニル)-4,5,13-トリメチル-3-チア-1,8,11,12-テトラアザトリシクロ[8.3.0.02,6 ]トリデカ-2(6),4,7,10,12-ペンタエン-9-イル]アセトアミド}-3,6,9,12,15,18,21-ヘプタオキサトリコサン-1-イル)アセトアミド
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.02,6 ]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(23-{2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.02,6 ]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamido}-3,6,9,12,15,18,21-heptaoxatricosan-1-yl)acetamide
Other name (2):
N,N′-[Oxybis(ethyleneoxyethyleneoxyethyleneoxyethylene)]bis[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide]
MT-1
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