Chem
J-GLOBAL ID：200907050578522864
Nikkaji number：J576.932I
L-Arg-L-Pen-Gly-L-His-L-Arg-Gly-L-Asp-L-Leu-L-Arg-L-Cys-L-Arg-OH
L-Arg-L-Pen-Gly-L-His-L-Arg-Gly-L-Asp-L-Leu-L-Arg-L-Cys-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： C52H93N25O14S2
Molecular formula furigana： C52-H93-N25-O14-S2
Molecular weight： 1356.600
InChI：
InChI=1S/C52H93N25O14S2/c1-25(2)17-31(42(85)73-29(11-7-15-65-50(58)59)41(84)76-34(23-92)45(88)74-30(47(90)91)12-8-16-66-51(60)61)75-44(87)33(19-37(80)81)71-35(78)21-67-40(83)28(10-6-14-64-49(56)57)72-43(86)32(18-26-20-62-24-69-26)70-36(79)22-68-46(89)38(52(3,4)93)77-39(82)27(53)9-5-13-63-48(54)55/h20,24-25,27-34,38,92-93H,5-19,21-23,53H2,1-4H3,(H,62,69)(H,67,83)(H,68,89)(H,70,79)(H,71,78)(H,72,86)(H,73,85)(H,74,88)(H,75,87)(H,76,84)(H,77,82)(H,80,81)(H,90,91)(H4,54,55,63)(H4,56,57,64)(H4,58,59,65)(H4,60,61,66)/t27-,28-,29-,30-,31-,32-,33-,34-,38+/m0/s1
InChI key：
GPGGNZCXYOKPMY-LFLSQYGTSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)S)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name (3)：
- L-Arg-L-Pen-Gly-L-His-L-Arg-Gly-L-Asp-L-Leu-L-Arg-L-Cys-L-Arg-OH
- (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-アミノ-5-カルバムイミドアミドペンタンアミド]-3-メチル-3-スルファニルブタンアミド]アセトアミド}-3-(1H-イミダゾール-4-イル)プロパンアミド]-5-カルバムイミドアミドペンタンアミド]アセトアミド}-3-カルボキシプロパンアミド]-4-メチルペンタンアミド]-5-カルバムイミドアミドペンタンアミド]-3-スルファニルプロパンアミド]-5-カルバムイミドアミドペンタン酸
- (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methyl-3-sulfanylbutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]acetamido}-3-carboxypropanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid
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