Chem
J-GLOBAL ID：200907074203930708
Nikkaji number：J1.949.320B
L-Gln-L-Trp-L-Pro-L-Ser-Gly-L-Arg-L-Arg-L-Thr-Gly-L-Lys-L-Tyr-L-Ala-L-Arg-OH
L-Gln-L-Trp-L-Pro-L-Ser-Gly-L-Arg-L-Arg-L-Thr-Gly-L-Lys-L-Tyr-L-Ala-L-Arg-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： C68H107N25O18
Molecular formula furigana： C68-H107-N25-O18
Molecular weight： 1562.761
InChI：
InChI=1S/C68H107N25O18/c1-35(55(100)88-46(65(110)111)16-9-27-80-68(76)77)84-61(106)47(29-37-18-20-39(96)21-19-37)89-59(104)43(13-5-6-24-69)85-53(99)33-83-63(108)54(36(2)95)92-60(105)45(15-8-26-79-67(74)75)87-58(103)44(14-7-25-78-66(72)73)86-52(98)32-82-57(102)49(34-94)91-62(107)50-17-10-28-93(50)64(109)48(90-56(101)41(70)22-23-51(71)97)30-38-31-81-42-12-4-3-11-40(38)42/h3-4,11-12,18-21,31,35-36,41,43-50,54,81,94-96H,5-10,13-17,22-30,32-34,69-70H2,1-2H3,(H2,71,97)(H,82,102)(H,83,108)(H,84,106)(H,85,99)(H,86,98)(H,87,103)(H,88,100)(H,89,104)(H,90,101)(H,91,107)(H,92,105)(H,110,111)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t35-,36+,41-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
InChI key：
NILBYAWWGSVSSR-GSTYVIEESA-N
SMILES：
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name (3)：
- L-Gln-L-Trp-L-Pro-L-Ser-Gly-L-Arg-L-Arg-L-Thr-Gly-L-Lys-L-Tyr-L-Ala-L-Arg-OH
- (2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-アミノ-4-カルバモイルブタンアミド]-3-(1H-インドール-3-イル)プロパノイル]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]アセトアミド}-5-カルバムイミドアミドペンタンアミド]-5-カルバムイミドアミドペンタンアミド]-3-ヒドロキシブタンアミド]アセトアミド}ヘキサンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]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)-6-amino-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]acetamido}hexanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-5-carbamimidamidopentanoic acid
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