Chem
J-GLOBAL ID：200907078571564792   Nikkaji number：J1.811.401A

N-[6-[2-[Ethyl[4-(4-nitrophenylazo)phenyl]amino]ethylcarbamoyl]hexanoyl]-O-tert-butyl-L-Tyr-Gly-Gly-L-Phe-OH

N-[6-[2-[エチル[4-(4-ニトロフェニルアゾ)フェニル]アミノ]エチルカルバモイル]ヘキサノイル]-O-tert-ブチル-L-Tyr-Gly-Gly-L-Phe-OH
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： C49H61N8[N+]O9[O-]
Molecular formula furigana： C49-H61-N9-O10
Molecular weight： 936.080
InChI： InChI=1S/C49H61N9O10/c1-5-57(38-22-18-36(19-23-38)55-56-37-20-24-39(25-21-37)58(66)67)29-28-50-43(59)14-10-7-11-15-44(60)53-41(30-35-16-26-40(27-17-35)68-49(2,3)4)47(63)52-32-45(61)51-33-46(62)54-42(48(64)65)31-34-12-8-6-9-13-34/h6,8-9,12-13,16-27,41-42H,5,7,10-11,14-15,28-33H2,1-4H3,(H,50,59)(H,51,61)(H,52,63)(H,53,60)(H,54,62)(H,64,65)/t41-,42-/m0/s1
InChI key： LYLVLBCIEBTVMF-COCZKOEFSA-N
SMILES： CCN(CCNC(=O)CCCCCC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • N-[6-[2-[エチル[4-(4-ニトロフェニルアゾ)フェニル]アミノ]エチルカルバモイル]ヘキサノイル]-O-tert-ブチル-L-Tyr-Gly-Gly-L-Phe-OH
  • (2S)-2-(2-{2-[(2S)-3-[4-(tert-ブトキシ)フェニル]-2-[6-({2-[エチル({4-[2-(4-ニトロフェニル)ジアゼン-1-イル]フェニル})アミノ]エチル}カルバモイル)ヘキサンアミド]プロパンアミド]アセトアミド}アセトアミド)-3-フェニルプロパン酸
  • (2S)-2-(2-{2-[(2S)-3-[4-(tert-butoxy)phenyl]-2-[6-({2-[ethyl({4-[2-(4-nitrophenyl)diazen-1-yl]phenyl})amino]ethyl}carbamoyl)hexanamido]propanamido]acetamido}acetamido)-3-phenylpropanoic acid
Other name (1)：
  • N-[6-[2-[Ethyl[4-(4-nitrophenylazo)phenyl]amino]ethylcarbamoyl]hexanoyl]-O-tert-butyl-L-Tyr-Gly-Gly-L-Phe-OH
Thsaurus map：
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