Chem
J-GLOBAL ID：200907045302103597   Nikkaji number：J647.553A

SR-120819A

SR-120819A
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： C43H54N6O4S
Molecular formula furigana： C43-H54-N6-O4-S
Molecular weight： 751.000
InChI： InChI=1S/C43H54N6O4S/c1-48(2)30-34-16-14-33(15-17-34)29-45-41(44)36-20-18-32(19-21-36)27-40(43(51)49-24-8-9-25-49)46-42(50)39(26-31-10-4-3-5-11-31)47-54(52,53)38-23-22-35-12-6-7-13-37(35)28-38/h3-7,10-13,18-23,28,33-34,39-40,47H,8-9,14-17,24-27,29-30H2,1-2H3,(H2,44,45)(H,46,50)/t33-,34+,39-,40-/m1/s1
InChI key： GKKPXBHNFVDHAQ-GWOGJWAKSA-N
SMILES： CN(C)C[C@@H]1CC[C@H](CNC(=N)c2ccc(C[C@@H](NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc4ccccc4c3)C(=O)N3CCCC3)cc2)CC1
Systematic name  (3)：
  • N-[(R)-α-(ピロリジノカルボニル)-4-[N1-[[4α-[(ジメチルアミノ)メチル]シクロヘキサン-1α-イル]メチル]アミジノ]フェネチル]-Nα-(2-ナフチルスルホニル)-D-フェニルアラニンアミド
  • (2R)-2-(ナフタレン-2-スルホンアミド)-N-[(2R)-1-オキソ-1-(ピロリジン-1-イル)-3-[4-(N-{[(1s,4s)-4-[(ジメチルアミノ)メチル]シクロヘキシル]メチル}カルバムイミドイル)フェニル]プロパン-2-イル]-3-フェニルプロパンアミド
  • (2R)-2-(naphthalene-2-sulfonamido)-N-[(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[4-(N-{[(1s,4s)-4-[(dimethylamino)methyl]cyclohexyl]methyl}carbamimidoyl)phenyl]propan-2-yl]-3-phenylpropanamide
Other name (1)：
  • SR-120819A
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