Chem
J-GLOBAL ID：200907021657756994   Nikkaji number：J562.390A

Leucokinin VIII

ロイコキニンVIII
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： C43H52N10O12
Molecular formula furigana： C43-H52-N10-O12
Molecular weight： 900.947
InChI： InChI=1S/C43H52N10O12/c1-23(48-36(57)19-44)38(60)49-33(18-37(58)59)42(64)51-30(15-24-7-3-2-4-8-24)40(62)50-31(16-25-11-13-27(55)14-12-25)41(63)53-34(22-54)43(65)52-32(39(61)47-21-35(45)56)17-26-20-46-29-10-6-5-9-28(26)29/h2-14,20,23,30-34,46,54-55H,15-19,21-22,44H2,1H3,(H2,45,56)(H,47,61)(H,48,57)(H,49,60)(H,50,62)(H,51,64)(H,52,65)(H,53,63)(H,58,59)/t23-,30-,31-,32-,33-,34-/m0/s1
InChI key： NSFRIOCUPFCWSR-XJYHPMDOSA-N
SMILES： C[C@H](NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N
Systematic name  (3)：
  • Gly-L-Ala-L-Asp-L-Phe-L-Tyr-L-Ser-L-Trp-Gly-NH2
  • (3S)-3-[(2S)-2-(2-アミノアセトアミド)プロパンアミド]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[(カルバモイルメチル)カルバモイル]-2-(1H-インドール-3-イル)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-(4-ヒドロキシフェニル)エチル]カルバモイル}-2-フェニルエチル]カルバモイル}プロパン酸
  • (3S)-3-[(2S)-2-(2-aminoacetamido)propanamido]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid
Other name (3)：
  • ロイコキニンVIII
  • Leucokinin VIII
  • Leukokinin VIII
KEGG COMPOUND： C15929
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