Chem
J-GLOBAL ID:200907050713916967   Nikkaji number:J363.735B

L-Thr-L-Gln-L-Trp-L-Ala-L-Val-Gly-L-His-D-Leu-L-Met-NH2

L-Thr-L-Gln-L-Trp-L-Ala-L-Val-Gly-L-His-D-Leu-L-Met-NH2
Substance type:
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
Molecular formula: C47H72N14O11S
Molecular formula furigana: C47-H72-N14-O11-S
Molecular weight: 1041.240
InChI: InChI=1S/C47H72N14O11S/c1-23(2)16-33(44(69)57-31(40(50)65)14-15-73-7)59-45(70)35(18-28-20-51-22-54-28)56-37(64)21-53-47(72)39(24(3)4)61-41(66)25(5)55-43(68)34(17-27-19-52-30-11-9-8-10-29(27)30)60-42(67)32(12-13-36(48)63)58-46(71)38(49)26(6)62/h8-11,19-20,22-26,31-35,38-39,52,62H,12-18,21,49H2,1-7H3,(H2,48,63)(H2,50,65)(H,51,54)(H,53,72)(H,55,68)(H,56,64)(H,57,69)(H,58,71)(H,59,70)(H,60,67)(H,61,66)/t25-,26+,31-,32-,33+,34-,35-,38-,39-/m0/s1
InChI key: FNOAHOUDXVBXOK-HFPRLTKNSA-N
SMILES: CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N
Systematic name  (3):
  • L-Thr-L-Gln-L-Trp-L-Ala-L-Val-Gly-L-His-D-Leu-L-Met-NH2
  • (2S)-2-[(2S,3R)-2-アミノ-3-ヒドロキシブタンアミド]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1R)-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}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}メチル)カルバモイル]-2-メチルプロピル]カルバモイル}エチル]カルバモイル}-2-(1H-インドール-3-イル)エチル]ペンタンジアミド
  • (2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1R)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]pentanediamide
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