Chem
J-GLOBAL ID：200907049445246998   Nikkaji number：J2.704.585E

Arg-Ile-Lys-Ile-Gly-Leu-4-Benzoyl-Phe-NH2

Arg-Ile-Lys-Ile-Gly-Leu-4-ベンゾイル-Phe-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： C48H76N12O8
Molecular formula furigana： C48-H76-N12-O8
Molecular weight： 949.212
InChI： InChI=1S/C48H76N12O8/c1-7-29(5)39(60-44(65)35(18-12-13-23-49)57-47(68)40(30(6)8-2)59-43(64)34(50)17-14-24-54-48(52)53)46(67)55-27-38(61)56-37(25-28(3)4)45(66)58-36(42(51)63)26-31-19-21-33(22-20-31)41(62)32-15-10-9-11-16-32/h9-11,15-16,19-22,28-30,34-37,39-40H,7-8,12-14,17-18,23-27,49-50H2,1-6H3,(H2,51,63)(H,55,67)(H,56,61)(H,57,68)(H,58,66)(H,59,64)(H,60,65)(H4,52,53,54)/t29-,30-,34-,35-,36-,37-,39-,40-/m0/s1
InChI key： FIBTXVLECOPETE-AMBFHCKDSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)N
Systematic name  (3)：
  • Arg-Ile-Lys-Ile-Gly-Leu-4-ベンゾイル-Phe-NH2
  • (2S)-6-アミノ-2-[(2S,3S)-2-[(2S)-2-アミノ-5-カルバムイミドアミドペンタンアミド]-3-メチルペンタンアミド]-N-[(1S,2S)-1-[({[(1S)-1-{[(1S)-2-(4-ベンゾイルフェニル)-1-カルバモイルエチル]カルバモイル}-3-メチルブチル]カルバモイル}メチル)カルバモイル]-2-メチルブチル]ヘキサンアミド
  • (2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]-N-[(1S,2S)-1-[({[(1S)-1-{[(1S)-2-(4-benzoylphenyl)-1-carbamoylethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]hexanamide
Other name (1)：
  • Arg-Ile-Lys-Ile-Gly-Leu-4-Benzoyl-Phe-NH2
Thsaurus map：
Thesaurus Map

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