Chem
J-GLOBAL ID:200907099779732475   Nikkaji number:J2.227.025G

Nα-(Benzyloxycarbonyl)-6-[2-methoxy-3-iodo-5-[(R)-1-[2-amino-2-(3,5-dichloro-4-methoxyphenyl)acetylamino]-2-oxo-2-methoxyethyl]phenyl]-L-tryptophan

Nα-(ベンジルオキシカルボニル)-6-[2-メトキシ-3-ヨード-5-[(R)-1-[2-アミノ-2-(3,5-ジクロロ-4-メトキシフェニル)アセチルアミノ]-2-オキソ-2-メトキシエチル]フェニル]-L-トリプトファン
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: C38H35Cl2IN4O9
Molecular formula furigana: C38-H35-CL2-I-N4-O9
Molecular weight: 889.520
InChI: InChI=1S/C38H35Cl2IN4O9/c1-51-33-25(11-22(14-28(33)41)32(37(49)53-3)45-35(46)31(42)21-12-26(39)34(52-2)27(40)13-21)20-9-10-24-23(17-43-29(24)15-20)16-30(36(47)48)44-38(50)54-18-19-7-5-4-6-8-19/h4-15,17,30-32,43H,16,18,42H2,1-3H3,(H,44,50)(H,45,46)(H,47,48)/t30-,31?,32+/m0/s1
InChI key: IEFUUKDCMSELCH-HRFHJXJKSA-N
SMILES: COC(=O)[C@H](NC(=O)C(N)c1cc(Cl)c(OC)c(Cl)c1)c1cc(I)c(OC)c(c1)c1ccc2c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)c[nH]c2c1
Systematic name  (3):
  • Nα-(ベンジルオキシカルボニル)-6-[2-メトキシ-3-ヨード-5-[(R)-1-[2-アミノ-2-(3,5-ジクロロ-4-メトキシフェニル)アセチルアミノ]-2-オキソ-2-メトキシエチル]フェニル]-L-トリプトファン
  • (2S)-3-(6-{5-[(1R)-1-[2-アミノ-2-(3,5-ジクロロ-4-メトキシフェニル)アセトアミド]-2-メトキシ-2-オキソエチル]-3-ヨード-2-メトキシフェニル}-1H-インドール-3-イル)-2-{[(ベンジルオキシ)カルボニル]アミノ}プロパン酸
  • (2S)-3-(6-{5-[(1R)-1-[2-amino-2-(3,5-dichloro-4-methoxyphenyl)acetamido]-2-methoxy-2-oxoethyl]-3-iodo-2-methoxyphenyl}-1H-indol-3-yl)-2-{[(benzyloxy)carbonyl]amino}propanoic acid
Other name (1):
  • Nα-(Benzyloxycarbonyl)-6-[2-methoxy-3-iodo-5-[(R)-1-[2-amino-2-(3,5-dichloro-4-methoxyphenyl)acetylamino]-2-oxo-2-methoxyethyl]phenyl]-L-tryptophan
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