Chem
J-GLOBAL ID:200907076600564699   Nikkaji number:J632.362F

Microcin C51

ミクロシンC51
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: C42H67N17O18[O-]PS
Molecular formula furigana: C42-H67-N17-O19-P-S
Molecular weight: 1177.130
InChI: InChI=1S/C42H68N17O19PS/c1-20(35(66)57-25(41(71)72)13-29(62)48-9-5-10-75-79(73,74)76-16-27-32(64)33(65)40(77-27)59-18-52-34-26(59)14-47-17-51-34)54-38(69)24(12-28(43)61)55-30(63)15-50-39(70)31(21(2)78-46)58-37(68)23(6-4-8-49-42(44)45)56-36(67)22(53-19-60)7-11-80-3/h14,17-25,27,31-33,40,64-65H,4-13,15-16,46H2,1-3H3,(H2,43,61)(H,48,62)(H,50,70)(H,53,60)(H,54,69)(H,55,63)(H,56,67)(H,57,66)(H,58,68)(H,71,72)(H,73,74)(H4,44,45,49)/p-1/t20-,21+,22-,23-,24-,25-,27+,31-,32+,33+,40+/m0/s1
InChI key: FADUSUVPDLFLTR-STVQWFLVSA-M
SMILES: CSCC[C@H](NC=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)ON)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCCOP(=O)([O-])OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2ncncc12)C(=O)O
Systematic name  (3):
  • CHO-L-Met-L-Arg-O-アミノ-L-Thr-Gly-L-Asn-L-Ala-N4-[3-[[[[1-(7H-プリン-7-イル)-1,5-ジデオキシ-β-D-リボフラノース-5-イル]オキシ]オキシラト(オキソ)ホスホラニル]オキシ]プロピル]-L-Asn-OH
  • (2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-3-(アミノオキシ)-2-[(2S)-5-カルバムイミドアミド-2-[(2S)-2-ホルムアミド-4-(メチルスルファニル)ブタンアミド]ペンタンアミド]ブタンアミド]アセトアミド}-3-カルバモイルプロパンアミド]プロパンアミド]-3-{[3-({[(2R,3S,4R,5R)-3,4-ジヒドロキシ-5-(7H-プリン-7-イル)オキソラン-2-イル]メチル ホスホナト}オキシ)プロピル]カルバモイル}プロパン酸
  • (2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-3-(aminooxy)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-formamido-4-(methylsulfanyl)butanamido]pentanamido]butanamido]acetamido}-3-carbamoylpropanamido]propanamido]-3-{[3-({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7H-purin-7-yl)oxolan-2-yl]methyl phosphonato}oxy)propyl]carbamoyl}propanoic acid
Other name (3):
  • ミクロシンC51
  • Microcin C51
  • CHO-L-Met-L-Arg-O-Amino-L-Thr-Gly-L-Asn-L-Ala-N4-[3-[[[[1-(7H-purin-7-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl]oxy]oxylato(oxo)phosphoranyl]oxy]propyl]-L-Asn-OH ester
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