Chem
J-GLOBAL ID：200907059521501230   Nikkaji number：J2.227.032J

(3R,6R,9R)-3-(Benzyloxycarbonylamino)-4,7-dioxo-6-(3,5-dichloro-4-methoxyphenyl)-12-iodo-13-methoxy-10,14:15,19-dimetheno-5,8,20-triazabicyclo[16.3.0]henicosa-10,12,15,17,21(1)-pentaene-9-carboxylic acid methyl ester

(3R,6R,9R)-3-(ベンジルオキシカルボニルアミノ)-4,7-ジオキソ-6-(3,5-ジクロロ-4-メトキシフェニル)-12-ヨード-13-メトキシ-10,14:15,19-ジメテノ-5,8,20-トリアザビシクロ[16.3.0]ヘニコサ-10,12,15,17,21(1)-ペンタエン-9-カルボン酸メチル
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： C38H33Cl2IN4O8
Molecular formula furigana： C38-H33-CL2-I-N4-O8
Molecular weight： 871.510
InChI： InChI=1S/C38H33Cl2IN4O8/c1-50-33-25-11-21(14-28(33)41)32(37(48)52-3)45-36(47)31(22-12-26(39)34(51-2)27(40)13-22)44-35(46)30(43-38(49)53-18-19-7-5-4-6-8-19)16-23-17-42-29-15-20(25)9-10-24(23)29/h4-15,17,30-32,42H,16,18H2,1-3H3,(H,43,49)(H,44,46)(H,45,47)/t30-,31-,32-/m1/s1
InChI key： UJPLFAJKPQAFIE-XWHIBYANSA-N
SMILES： COC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3cc(ccc23)c2cc1cc(I)c2OC)NC(=O)OCc1ccccc1)c1cc(Cl)c(OC)c(Cl)c1
Systematic name  (3)：
  • (3R,6R,9R)-3-(ベンジルオキシカルボニルアミノ)-4,7-ジオキソ-6-(3,5-ジクロロ-4-メトキシフェニル)-12-ヨード-13-メトキシ-10,14:15,19-ジメテノ-5,8,20-トリアザビシクロ[16.3.0]ヘニコサ-10,12,15,17,21(1)-ペンタエン-9-カルボン酸メチル
  • メチル (11R,14R,17R)-11-{[(ベンジルオキシ)カルボニル]アミノ}-14-(3,5-ジクロロ-4-メトキシフェニル)-20-ヨード-21-メトキシ-12,15-ジオキソ-7,13,16-トリアザテトラシクロ[16.3.1.12,6.05,9]トリコサ-1(22),2,4,6(23),8,18,20-ヘプタエン-17-カルボキシラート
  • methyl (11R,14R,17R)-11-{[(benzyloxy)carbonyl]amino}-14-(3,5-dichloro-4-methoxyphenyl)-20-iodo-21-methoxy-12,15-dioxo-7,13,16-triazatetracyclo[16.3.1.12,6.05,9]tricosa-1(22),2,4,6(23),8,18,20-heptaene-17-carboxylate
Other name (1)：
  • (3R,6R,9R)-3-(Benzyloxycarbonylamino)-4,7-dioxo-6-(3,5-dichloro-4-methoxyphenyl)-12-iodo-13-methoxy-10,14:15,19-dimetheno-5,8,20-triazabicyclo[16.3.0]henicosa-10,12,15,17,21(1)-pentaene-9-carboxylic acid methyl ester
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