Chem
J-GLOBAL ID:200907003813048875   Nikkaji number:J916.138D

Nβ-[3-(Fmoc-L-Phe-L-Thr-L-Ser-S-Acm-L-Cys-L-His-Gly-Thio)propionyl]-β-alaninamide

Nβ-[3-(Fmoc-L-Phe-L-Thr-L-Ser-S-Acm-L-Cys-L-His-Gly-チオ)プロピオニル]-β-アラニンアミド
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: C51H63N11O13S2
Molecular formula furigana: C51-H63-N11-O13-S2
Molecular weight: 1102.250
InChI: InChI=1S/C51H63N11O13S2/c1-29(64)45(62-47(70)38(20-31-10-4-3-5-11-31)61-51(74)75-25-37-35-14-8-6-12-33(35)34-13-7-9-15-36(34)37)50(73)59-40(24-63)48(71)60-41(26-76-28-57-30(2)65)49(72)58-39(21-32-22-53-27-56-32)46(69)55-23-44(68)77-19-17-43(67)54-18-16-42(52)66/h3-15,22,27,29,37-41,45,63-64H,16-21,23-26,28H2,1-2H3,(H2,52,66)(H,53,56)(H,54,67)(H,55,69)(H,57,65)(H,58,72)(H,59,73)(H,60,71)(H,61,74)(H,62,70)/t29-,38+,39+,40+,41+,45+/m1/s1
InChI key: BILZVGKSUXVIAB-WLKARYICSA-N
SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)SCCC(=O)NCCC(=O)N
Systematic name  (3):
  • Nβ-[3-(Fmoc-L-Phe-L-Thr-L-Ser-S-Acm-L-Cys-L-His-Gly-チオ)プロピオニル]-β-アラニンアミド
  • (9H-フルオレン-9-イル)メチル N-[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[2-({2-[(2-カルバモイルエチル)カルバモイル]エチル}スルファニル)-2-オキソエチル]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}-2-[(アセトアミドメチル)スルファニル]エチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}-2-ヒドロキシプロピル]カルバモイル}-2-フェニルエチル]カルバマート
  • (9H-fluoren-9-yl)methyl N-[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[2-({2-[(2-carbamoylethyl)carbamoyl]ethyl}sulfanyl)-2-oxoethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-[(acetamidomethyl)sulfanyl]ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-phenylethyl]carbamate
Other name (1):
  • Nβ-[3-(Fmoc-L-Phe-L-Thr-L-Ser-S-Acm-L-Cys-L-His-Gly-Thio)propionyl]-β-alaninamide
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