Chem
J-GLOBAL ID：200907028009876938
Nikkaji number：J515.481B
N-[(2S)-2-[3α-[[N2-Acetyl-L-Lys-L-Asp-L-Ser-L-Phe-L-Val-]amino]-2-oxo-1-pyrrolidinyl]-4-methylpentanoyl]-L-Met-NH2
N-[(2S)-2-[3α-[[N2-アセチル-L-Lys-L-Asp-L-Ser-L-Phe-L-Val-]アミノ]-2-オキソ-1-ピロリジニル]-4-メチルペンタノイル]-L-Met-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： C44H70N10O12S
Molecular formula furigana： C44-H70-N10-O12-S
Molecular weight： 963.160
InChI：
InChI=1S/C44H70N10O12S/c1-24(2)20-34(42(64)48-28(37(46)59)16-19-67-6)54-18-15-30(44(54)66)49-43(65)36(25(3)4)53-40(62)31(21-27-12-8-7-9-13-27)50-41(63)33(23-55)52-39(61)32(22-35(57)58)51-38(60)29(47-26(5)56)14-10-11-17-45/h7-9,12-13,24-25,28-34,36,55H,10-11,14-23,45H2,1-6H3,(H2,46,59)(H,47,56)(H,48,64)(H,49,65)(H,50,63)(H,51,60)(H,52,61)(H,53,62)(H,57,58)/t28-,29-,30+,31-,32-,33-,34-,36-/m0/s1
InChI key：
LOMJQACLACNTJR-VYTKUBAKSA-N
SMILES：
CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)C)C(C)C)C1=O)C(=O)N
Systematic name (3)：
- N-[(2S)-2-[3α-[[N2-アセチル-L-Lys-L-Asp-L-Ser-L-Phe-L-Val-]アミノ]-2-オキソ-1-ピロリジニル]-4-メチルペンタノイル]-L-Met-NH2
- (3S)-3-[(2S)-6-アミノ-2-アセトアミドヘキサンアミド]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(3R)-1-[(1S)-1-{[(1S)-1-カルバモイル-3-(メチルスルファニル)プロピル]カルバモイル}-3-メチルブチル]-2-オキソピロリジン-3-イル]カルバモイル}-2-メチルプロピル]カルバモイル}-2-フェニルエチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}プロパン酸
- (3S)-3-[(2S)-6-amino-2-acetamidohexanamido]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(3R)-1-[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]-2-oxopyrrolidin-3-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid
- N-[(2S)-2-[3α-[[N2-Acetyl-L-Lys-L-Asp-L-Ser-L-Phe-L-Val-]amino]-2-oxo-1-pyrrolidinyl]-4-methylpentanoyl]-L-Met-NH2
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