Chem
J-GLOBAL ID:200907049224416775   Nikkaji number:J1.307.989G

Sodefrin

ソデフリン
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: C48H86N12O15
Molecular formula furigana: C48-H86-N12-O15
Molecular weight: 1071.285
InChI: InChI=1S/C48H86N12O15/c1-8-27(6)38(59-40(66)29(51)23-61)47(73)60-19-13-16-36(60)46(72)58-35(24-62)45(71)53-30(14-9-11-17-49)41(67)57-34(22-37(63)64)42(68)52-28(7)39(65)55-32(20-25(2)3)44(70)56-33(21-26(4)5)43(69)54-31(48(74)75)15-10-12-18-50/h25-36,38,61-62H,8-24,49-51H2,1-7H3,(H,52,68)(H,53,71)(H,54,69)(H,55,65)(H,56,70)(H,57,67)(H,58,72)(H,59,66)(H,63,64)(H,74,75)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,38-/m0/s1
InChI key: FEDVAMPMWFINFV-APUTZNCMSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name  (3):
  • L-Ser-L-Ile-L-Pro-L-Ser-L-Lys-L-Asp-L-Ala-L-Leu-L-Leu-L-Lys-OH
  • (2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-アミノ-3-ヒドロキシプロパンアミド]-3-メチルペンタノイル]ピロリジン-2-イル]ホルムアミド}-3-ヒドロキシプロパンアミド]ヘキサンアミド]-3-カルボキシプロパンアミド]プロパンアミド]-4-メチルペンタンアミド]-4-メチルペンタンアミド]ヘキサン酸
  • (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]hexanamido]-3-carboxypropanamido]propanamido]-4-methylpentanamido]-4-methylpentanamido]hexanoic acid
Other name (2):
  • ソデフリン
  • Sodefrin
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