Chem
J-GLOBAL ID：200907078833080406
Nikkaji number：J376.716G
L-pGlu-L-His-L-Trp-L-Ser-L-Tyr-D-Leu-L-Leu-L-Arg-Dimethyl NH2
L-pGlu-L-His-L-Trp-L-Ser-L-Tyr-D-Leu-L-Leu-L-Arg-ジメチルNH2
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： C54H77N15O11
Molecular formula furigana： C54-H77-N15-O11
Molecular weight： 1112.304
InChI：
InChI=1S/C54H77N15O11/c1-29(2)20-39(47(74)62-38(53(80)69(5)6)12-9-19-58-54(55)56)63-48(75)40(21-30(3)4)64-49(76)41(22-31-13-15-34(71)16-14-31)65-52(79)44(27-70)68-50(77)42(23-32-25-59-36-11-8-7-10-35(32)36)66-51(78)43(24-33-26-57-28-60-33)67-46(73)37-17-18-45(72)61-37/h7-8,10-11,13-16,25-26,28-30,37-44,59,70-71H,9,12,17-24,27H2,1-6H3,(H,57,60)(H,61,72)(H,62,74)(H,63,75)(H,64,76)(H,65,79)(H,66,78)(H,67,73)(H,68,77)(H4,55,56,58)/t37-,38-,39-,40+,41-,42-,43-,44-/m0/s1
InChI key：
INBOBXKHTWMUPL-NFVVVWSGSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)C
Systematic name (3)：
- L-pGlu-L-His-L-Trp-L-Ser-L-Tyr-D-Leu-L-Leu-L-Arg-ジメチルNH2
- (2R)-N-[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-(ジメチルカルバモイル)ブチル]カルバモイル}-3-メチルブチル]-2-[(2S)-2-[(2S)-3-ヒドロキシ-2-[(2S)-2-[(2S)-3-(1H-イミダゾール-4-イル)-2-{[(2S)-5-オキソピロリジン-2-イル]ホルムアミド}プロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]プロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-4-メチルペンタンアミド
- (2R)-N-[(1S)-1-{[(1S)-4-carbamimidamido-1-(dimethylcarbamoyl)butyl]carbamoyl}-3-methylbutyl]-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamide
- L-pGlu-L-His-L-Trp-L-Ser-L-Tyr-D-Leu-L-Leu-L-Arg-Dimethyl NH2
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