Chem
J-GLOBAL ID：200907077117229621   Nikkaji number：J351.729B

A-71623

A-71623
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： C44H56N8O9
Molecular formula furigana： C44-H56-N8-O9
Molecular weight： 840.979
InChI： InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1
InChI key： KNHCBYMGWWTGSO-ZYADHFCISA-N
SMILES： CN([C@@H](Cc1ccccc1)C(=O)N)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Systematic name  (4)：
  • Nα-(tert-ブトキシカルボニル)-L-Trp-N6-[[(2-メチルフェニル)アミノ]カルボニル]-L-Lys-L-Asp-N-メチル-L-Phe-NH2
  • N-Boc-L-Trp-[(2S)-2-アミノ*-6-[3-(2-メチルフェニル)ウレイド]ヘキサノイル]-L-Asp-N-メチル-L-Phe-NH2
  • (3S)-3-[(2S)-2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-(1H-インドール-3-イル)プロパンアミド]-6-{[(2-メチルフェニル)カルバモイル]アミノ}ヘキサンアミド]-3-{[(1S)-1-カルバモイル-2-フェニルエチル](メチル)カルバモイル}プロパン酸
  • (3S)-3-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]-6-{[(2-methylphenyl)carbamoyl]amino}hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl](methyl)carbamoyl}propanoic acid
Other name (2)：
  • N-Boc-L-Trp-[(2S)-2-Amino*-6-[3-(2-methylphenyl)ureido]hexanoyl]-L-Asp-N-methyl-L-Phe-NH2
  • A-71623
Thsaurus map：
Thesaurus Map

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