Chem
J-GLOBAL ID:200907030287151035
Nikkaji number:J2.188.250J
Glu-Gln-Leu-Ser-Leu-Leu-Asp-Arg-OH
Glu-Gln-Leu-Ser-Leu-Leu-Asp-Arg-OH
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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:
C41 H72 N12 O15
Molecular formula furigana:
C41-H72-N12-O15
Molecular weight:
973.096
InChI:
InChI=1S/C41H72N12O15/c1-19(2)14-25(36(63)52-28(17-32(58)59)38(65)48-24(40(67)68)8-7-13-46-41(44)45)50-35(62)26(15-20(3)4)51-39(66)29(18-54)53-37(64)27(16-21(5)6)49-34(61)23(10-11-30(43)55)47-33(60)22(42)9-12-31(56)57/h19-29,54H,7-18,42H2,1-6H3,(H2,43,55)(H,47,60)(H,48,65)(H,49,61)(H,50,62)(H,51,66)(H,52,63)(H,53,64)(H,56,57)(H,58,59)(H,67,68)(H4,44,45,46)/t22-,23-,24-,25-,26-,27-,28-,29-/m0/s1
InChI key:
FJMSVEIRYPHAKD-PJYAFMLMSA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name (3):
Glu-Gln-Leu-Ser-Leu-Leu-Asp-Arg-OH
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-4-カルボキシブタンアミド]-4-カルバモイルブタンアミド]-4-メチルペンタンアミド]-3-ヒドロキシプロパンアミド]-4-メチルペンタンアミド]-4-メチルペンタンアミド]-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)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-3-hydroxypropanamido]-4-methylpentanamido]-4-methylpentanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid
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