Chem
J-GLOBAL ID：200907042504122063
Nikkaji number：J515.480D
N-[(2S)-2-[3α-[[L-Lys-L-Asp-L-Ser-L-Phe-L-Val-]Amino]-2-oxo-1-pyrrolidinyl]-4-methylpentanoyl]-L-Met-NH2
N-[(2S)-2-[3α-[[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： C42H68N10O11S
Molecular formula furigana： C42-H68-N10-O11-S
Molecular weight： 921.130
InChI：
InChI=1S/C42H68N10O11S/c1-23(2)19-32(40(61)46-27(35(45)56)15-18-64-5)52-17-14-28(42(52)63)47-41(62)34(24(3)4)51-38(59)29(20-25-11-7-6-8-12-25)49-39(60)31(22-53)50-37(58)30(21-33(54)55)48-36(57)26(44)13-9-10-16-43/h6-8,11-12,23-24,26-32,34,53H,9-10,13-22,43-44H2,1-5H3,(H2,45,56)(H,46,61)(H,47,62)(H,48,57)(H,49,60)(H,50,58)(H,51,59)(H,54,55)/t26-,27-,28+,29-,30-,31-,32-,34-/m0/s1
InChI key：
HVUNRXRFMQDMBO-ICQHUDCBSA-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](N)CCCCN)C(C)C)C1=O)C(=O)N
Systematic name (3)：
- N-[(2S)-2-[3α-[[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-{[(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}-3-[(2S)-2,6-ジアミノヘキサンアミド]プロパン酸
- (3S)-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}-3-[(2S)-2,6-diaminohexanamido]propanoic acid
- N-[(2S)-2-[3α-[[L-Lys-L-Asp-L-Ser-L-Phe-L-Val-]Amino]-2-oxo-1-pyrrolidinyl]-4-methylpentanoyl]-L-Met-NH2
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