Chem
J-GLOBAL ID:200907003578960618   Nikkaji number:J2.488.079F

L-Val-L-Leu-L-Glu-L-Glu-L-Asn-L-Ala-Gly-Gly-L-Glu-L-Gln-L-Glu-L-Glu-L-Arg-OH

L-Val-L-Leu-L-Glu-L-Glu-L-Asn-L-Ala-Gly-Gly-L-Glu-L-Gln-L-Glu-L-Glu-L-Arg-OH
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: C58H94N18O26
Molecular formula furigana: C58-H94-N18-O26
Molecular weight: 1459.490
InChI: InChI=1S/C58H94N18O26/c1-25(2)21-35(76-56(100)46(61)26(3)4)55(99)73-31(11-17-43(85)86)51(95)72-33(13-19-45(89)90)53(97)75-36(22-38(60)78)54(98)67-27(5)47(91)66-23-39(79)65-24-40(80)68-28(9-15-41(81)82)48(92)69-29(8-14-37(59)77)49(93)70-30(10-16-42(83)84)50(94)71-32(12-18-44(87)88)52(96)74-34(57(101)102)7-6-20-64-58(62)63/h25-36,46H,6-24,61H2,1-5H3,(H2,59,77)(H2,60,78)(H,65,79)(H,66,91)(H,67,98)(H,68,80)(H,69,92)(H,70,93)(H,71,94)(H,72,95)(H,73,99)(H,74,96)(H,75,97)(H,76,100)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,101,102)(H4,62,63,64)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,46-/m0/s1
InChI key: XUWISFYGIAPJKE-XMHYTXOQSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name  (3):
  • L-Val-L-Leu-L-Glu-L-Glu-L-Asn-L-Ala-Gly-Gly-L-Glu-L-Gln-L-Glu-L-Glu-L-Arg-OH
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-メチルブタンアミド]-4-メチルペンタンアミド]-4-カルボキシブタンアミド]-4-カルボキシブタンアミド]-3-カルバモイルプロパンアミド]プロパンアミド]アセトアミド}アセトアミド)-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-カルボキシブタンアミド]-4-カルボキシブタンアミド]-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-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-methylpentanamido]-4-carboxybutanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]propanamido]acetamido}acetamido)-4-carboxybutanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid
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