Chem
J-GLOBAL ID：201307065838396310   Nikkaji number：J3.199.406C

Pheganomycin DR

フェガノマイシンDR
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： C36H59N13O13
Molecular formula furigana： C36-H59-N13-O13
Molecular weight： 881.946
InChI： InChI=1S/C36H59N13O13/c1-36(2,3)27(49-30(58)20(13-24(38)53)47-31(59)26(48-35(41)42)16-11-22(51)17(15-50)23(52)12-16)32(60)44-18(7-4-5-9-37)28(56)46-21(14-25(54)55)29(57)45-19(33(61)62)8-6-10-43-34(39)40/h11-12,18-21,26-27,50-52H,4-10,13-15,37H2,1-3H3,(H2,38,53)(H,44,60)(H,45,57)(H,46,56)(H,47,59)(H,49,58)(H,54,55)(H,61,62)(H4,39,40,43)(H4,41,42,48)/t18-,19-,20-,21-,26-,27+/m0/s1
InChI key： VHDCHQAJYCLACL-CXKYVJKLSA-N
SMILES： CC(C)(C)[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=N)N)c1cc(O)c(CO)c(O)c1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name  (4)：
  • N-アミジノ-3,5-ジヒドロキシ-4-(ヒドロキシメチル)-L-フェニルGly-L-Asn-3-メチル-L-Val-L-Lys-L-αAsp-L-Arg-OH
  • [(2S)-2-[4-(ヒドロキシメチル)-3,5-ジヒドロキシフェニル]-2-グアニジノアセチル]-L-Asn-3-メチル-L-Val-L-Lys-L-Asp-L-Arg-OH
  • (2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-カルバムイミドアミド-2-[3,5-ジヒドロキシ-4-(ヒドロキシメチル)フェニル]アセトアミド]-3-カルバモイルプロパンアミド]-3,3-ジメチルブタンアミド]ヘキサンアミド]-3-カルボキシプロパンアミド]-5-カルバムイミドアミドペンタン酸
  • (2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamimidamido-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]acetamido]-3-carbamoylpropanamido]-3,3-dimethylbutanamido]hexanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid
Other name (4)：
  • N-Amidino-3,5-dihydroxy-4-(hydroxymethyl)-L-phenyl Gly-L-Asn-3-methyl-L-Val-L-Lys-L-αAsp-L-Arg-OH
  • フェガノマイシンDR
  • Pheganomycin DR
  • [(2S)-2-[4-(Hydroxymethyl)-3,5-dihydroxyphenyl]-2-guanidinoacetyl]-L-Asn-3-methyl-L-Val-L-Lys-L-Asp-L-Arg-OH
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