Chem
J-GLOBAL ID：200907037429984336   Nikkaji number：J810.941I

BMS-200261

BMS-200261
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： C46H64FN15O6
Molecular formula furigana： C46-H64-F-N15-O6
Molecular weight： 942.115
InChI： InChI=1S/C46H64FN15O6/c1-27(2)24-35(41(66)60-34(11-7-23-56-45(51)52)40(65)59-33(39(48)64)10-6-22-55-44(49)50)61-43(68)37(26-30-14-19-32(20-15-30)57-46(53)54)62-42(67)36(25-29-12-17-31(47)18-13-29)58-38(63)21-16-28-8-4-3-5-9-28/h3-5,8-9,12-21,27,33-37H,6-7,10-11,22-26H2,1-2H3,(H2,48,64)(H,58,63)(H,59,65)(H,60,66)(H,61,68)(H,62,67)(H4,49,50,55)(H4,51,52,56)(H4,53,54,57)/b21-16+/t33-,34-,35-,36-,37-/m0/s1
InChI key： MMASVQLEESNGCJ-CNXFAXGCSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N
Systematic name  (3)：
  • N-trans-シンナモイル-4-フルオロ-L-Phe-4-グアニジノ-L-Phe-L-Leu-L-Arg-L-Arg-NH2
  • (2S)-N-[(1S)-4-カルバムイミドアミド-1-{[(1S)-4-カルバムイミドアミド-1-カルバモイルブチル]カルバモイル}ブチル]-2-[(2S)-3-(4-カルバムイミドアミドフェニル)-2-[(2S)-3-(4-フルオロフェニル)-2-[(2E)-3-フェニルプロパ-2-エンアミド]プロパンアミド]プロパンアミド]-4-メチルペンタンアミド
  • (2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]-2-[(2S)-3-(4-carbamimidamidophenyl)-2-[(2S)-3-(4-fluorophenyl)-2-[(2E)-3-phenylprop-2-enamido]propanamido]propanamido]-4-methylpentanamide
Other name (2)：
  • BMS-200261
  • N-trans-Cinnamoyl-4-fluoro-L-Phe-4-guanidino-L-Phe-L-Leu-L-Arg-L-Arg-NH2
Thsaurus map：
Thesaurus Map

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