Chem
J-GLOBAL ID：200907040249350712   Nikkaji number：J1.385.071B

AP-811

Nα-[4-(2-ナフチルカルボニルアミノ)フェニルアセチル]-L-Arg-L-Ile-L-Asp-L-Arg-[(S)-2-メチルブチル]NH2
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： C46H66N12O8
Molecular formula furigana： C46-H66-N12-O8
Molecular weight： 915.110
InChI： InChI=1S/C46H66N12O8/c1-5-27(3)26-53-41(63)34(13-9-21-51-45(47)48)56-43(65)36(25-38(60)61)57-44(66)39(28(4)6-2)58-42(64)35(14-10-22-52-46(49)50)55-37(59)23-29-15-19-33(20-16-29)54-40(62)32-18-17-30-11-7-8-12-31(30)24-32/h7-8,11-12,15-20,24,27-28,34-36,39H,5-6,9-10,13-14,21-23,25-26H2,1-4H3,(H,53,63)(H,54,62)(H,55,59)(H,56,65)(H,57,66)(H,58,64)(H,60,61)(H4,47,48,51)(H4,49,50,52)/t27-,28-,34-,35-,36-,39-/m0/s1
InChI key： UNMJSSQZDQBGDS-OCFLPWLCSA-N
SMILES： CC[C@H](C)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC
Systematic name  (3)：
  • Nα-[4-(2-ナフチルカルボニルアミノ)フェニルアセチル]-L-Arg-L-Ile-L-Asp-L-Arg-[(S)-2-メチルブチル]NH2
  • (3S)-3-{[(1S)-4-カルバムイミドアミド-1-{[(2S)-2-メチルブチル]カルバモイル}ブチル]カルバモイル}-3-[(2S,3S)-2-[(2S)-5-カルバムイミドアミド-2-{2-[4-(ナフタレン-2-アミド)フェニル]アセトアミド}ペンタンアミド]-3-メチルペンタンアミド]プロパン酸
  • (3S)-3-{[(1S)-4-carbamimidamido-1-{[(2S)-2-methylbutyl]carbamoyl}butyl]carbamoyl}-3-[(2S,3S)-2-[(2S)-5-carbamimidamido-2-{2-[4-(naphthalene-2-amido)phenyl]acetamido}pentanamido]-3-methylpentanamido]propanoic acid
Other name (2)：
  • Nα-[4-(2-Naphthylcarbonylamino)phenylacetyl]-L-Arg-L-Ile-L-Asp-L-Arg-[(S)-2-methylbutyl]NH2
  • AP-811
Thsaurus map：
Thesaurus Map

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