Chem
J-GLOBAL ID：200907021923207950
Nikkaji number：J515.478B
L-Lys-L-Asp-L-Ser-L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2
L-Lys-L-Asp-L-Ser-L-Phe-L-Phe-Gly-L-Leu-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： C44H66N10O11S
Molecular formula furigana： C44-H66-N10-O11-S
Molecular weight： 943.130
InChI：
InChI=1S/C44H66N10O11S/c1-26(2)20-31(41(62)50-30(38(47)59)17-19-66-3)49-36(56)24-48-40(61)32(21-27-12-6-4-7-13-27)52-42(63)33(22-28-14-8-5-9-15-28)53-44(65)35(25-55)54-43(64)34(23-37(57)58)51-39(60)29(46)16-10-11-18-45/h4-9,12-15,26,29-35,55H,10-11,16-25,45-46H2,1-3H3,(H2,47,59)(H,48,61)(H,49,56)(H,50,62)(H,51,60)(H,52,63)(H,53,65)(H,54,64)(H,57,58)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
InChI key：
NQIPNEISCKYLGD-POFDKVPJSA-N
SMILES：
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N
Systematic name (3)：
- L-Lys-L-Asp-L-Ser-L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2
- (3S)-3-{[(1S)-1-{[(1S)-1-{[(1S)-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]カルバモイル}メチル)カルバモイル]-2-フェニルエチル]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-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-[(2S)-2,6-diaminohexanamido]propanoic acid
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