Chem
J-GLOBAL ID：200907023782387090
Nikkaji number：J2.291.148A
L-His-L-Glu-L-Arg-L-Asp-L-Pro-L-Thr-L-His-L-Ile-L-Lys-L-Trp-Gly-L-Asp-OH
L-His-L-Glu-L-Arg-L-Asp-L-Pro-L-Thr-L-His-L-Ile-L-Lys-L-Trp-Gly-L-Asp-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： C65H95N21O20
Molecular formula furigana： C65-H95-N21-O20
Molecular weight： 1490.602
InChI：
InChI=1S/C65H95N21O20/c1-4-32(2)52(61(102)80-40(13-7-8-18-66)56(97)81-43(21-34-26-73-39-12-6-5-11-37(34)39)55(96)74-29-48(88)77-46(64(105)106)25-51(93)94)84-59(100)44(23-36-28-71-31-76-36)82-62(103)53(33(3)87)85-60(101)47-15-10-20-86(47)63(104)45(24-50(91)92)83-57(98)41(14-9-19-72-65(68)69)79-58(99)42(16-17-49(89)90)78-54(95)38(67)22-35-27-70-30-75-35/h5-6,11-12,26-28,30-33,38,40-47,52-53,73,87H,4,7-10,13-25,29,66-67H2,1-3H3,(H,70,75)(H,71,76)(H,74,96)(H,77,88)(H,78,95)(H,79,99)(H,80,102)(H,81,97)(H,82,103)(H,83,98)(H,84,100)(H,85,101)(H,89,90)(H,91,92)(H,93,94)(H,105,106)(H4,68,69,72)/t32-,33+,38-,40-,41-,42-,43-,44-,45-,46-,47-,52-,53-/m0/s1
InChI key：
GTEYDIOJLDTETK-BXJXJFHOSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O
Systematic name (3)：
- L-His-L-Glu-L-Arg-L-Asp-L-Pro-L-Thr-L-His-L-Ile-L-Lys-L-Trp-Gly-L-Asp-OH
- (2S)-2-{2-[(2S)-2-[(2S)-6-アミノ-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-(1H-イミダゾール-4-イル)プロパンアミド]-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アミド]-3-カルボキシプロパノイル]ピロリジン-2-イル]ホルムアミド}-3-ヒドロキシブタンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-3-メチルペンタンアミド]ヘキサンアミド]-3-(1H-インドール-3-イル)プロパンアミド]アセトアミド}ブタン二酸
- (2S)-2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]acetamido}butanedioic acid
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