Chem
J-GLOBAL ID：200907063634137574
Nikkaji number：J1.356.195H
Ile-Val-Gly-Arg-Pro-Arg-His-Gln-Gly-OH
Ile-Val-Gly-Arg-Pro-Arg-His-Gln-Gly-OH
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
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
Molecular formula： C43H74N18O11
Molecular formula furigana： C43-H74-N18-O11
Molecular weight： 1019.180
InChI：
InChI=1S/C43H74N18O11/c1-5-23(4)33(45)39(70)60-34(22(2)3)40(71)53-19-31(63)56-27(10-7-15-52-43(48)49)41(72)61-16-8-11-29(61)38(69)58-25(9-6-14-51-42(46)47)36(67)59-28(17-24-18-50-21-55-24)37(68)57-26(12-13-30(44)62)35(66)54-20-32(64)65/h18,21-23,25-29,33-34H,5-17,19-20,45H2,1-4H3,(H2,44,62)(H,50,55)(H,53,71)(H,54,66)(H,56,63)(H,57,68)(H,58,69)(H,59,67)(H,60,70)(H,64,65)(H4,46,47,51)(H4,48,49,52)/t23-,25-,26-,27-,28-,29-,33-,34-/m0/s1
InChI key：
FANJYQMTXWNAOX-ZKZGVUGUSA-N
SMILES：
CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)O
Systematic name (3)：
- Ile-Val-Gly-Arg-Pro-Arg-His-Gln-Gly-OH
- 2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-アミノ-3-メチルペンタンアミド]-3-メチルブタンアミド]アセトアミド}-5-カルバムイミドアミドペンタノイル]ピロリジン-2-イル]ホルムアミド}-5-カルバムイミドアミドペンタンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-4-カルバモイルブタンアミド]酢酸
- 2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylbutanamido]acetamido}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]acetic acid
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