Chem
J-GLOBAL ID:201707006085535197   Nikkaji number:J3.604.931F

N-(4-Chloro-6-(4-[5,15-di(pentafluorophenyl)-16,23-didehydro-16,24-dihydrocorrole-10-yl]phenylamino)-1,3,5-triazine-2-yl)-L-Phe-L-Phe-OMe

N-(4-クロロ-6-(4-[5,15-ジ(ペンタフルオロフェニル)-16,23-ジデヒドロ-16,24-ジヒドロコロール-10-イル]フェニルアミノ)-1,3,5-トリアジン-2-イル)-L-Phe-L-Phe-OMe
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: C59H37ClF10N10O3
Molecular formula furigana: C59-H37-CL-F10-N10-O3
Molecular weight: 1159.450
InChI: InChI=1S/C59H37ClF10N10O3/c1-83-56(82)39(25-27-10-6-3-7-11-27)76-55(81)38(24-26-8-4-2-5-9-26)77-59-79-57(60)78-58(80-59)71-29-14-12-28(13-15-29)40-32-20-22-36(74-32)41(43-45(61)49(65)53(69)50(66)46(43)62)34-18-16-30(72-34)31-17-19-35(73-31)42(37-23-21-33(40)75-37)44-47(63)51(67)54(70)52(68)48(44)64/h2-23,38-39,72-74H,24-25H2,1H3,(H,76,81)(H2,71,77,78,79,80)/b31-30-,40-32-,40-33-,41-34+,41-36+,42-35+,42-37+/t38-,39-/m0/s1
InChI key: IHYHPVOCSJHMLL-AQYYCGLTSA-N
SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)Nc1nc(Cl)nc(Nc2ccc(cc2)/C/2=c/3\cc/c(=C(/c4ccc(c5ccc(/C(=C\6/C=CC2=N6)/c2c(F)c(F)c(F)c(F)c2F)[nH]5)[nH]4)\c2c(F)c(F)c(F)c(F)c2F)/[nH]3)n1
Systematic name  (3):
  • N-(4-クロロ-6-(4-[5,15-ジ(ペンタフルオロフェニル)-16,23-ジデヒドロ-16,24-ジヒドロコロール-10-イル]フェニルアミノ)-1,3,5-トリアジン-2-イル)-L-Phe-L-Phe-OMe
  • メチル (2S)-2-[(2S)-2-{[4-({4-[6,16-ビス(2,3,4,5,6-ペンタフルオロフェニル)-20,21,22,23-テトラアザペンタシクロ[15.2.1.12,5.17,10.112,15]トリコサ-1(19),2,4,6,8,10,12(21),13,15,17-デカエン-11-イル]フェニル}アミノ)-6-クロロ-1,3,5-トリアジン-2-イル]アミノ}-3-フェニルプロパンアミド]-3-フェニルプロパノアート
  • methyl (2S)-2-[(2S)-2-{[4-({4-[6,16-bis(2,3,4,5,6-pentafluorophenyl)-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(19),2,4,6,8,10,12(21),13,15,17-decaen-11-yl]phenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}-3-phenylpropanamido]-3-phenylpropanoate
Other name (1):
  • N-(4-Chloro-6-(4-[5,15-di(pentafluorophenyl)-16,23-didehydro-16,24-dihydrocorrole-10-yl]phenylamino)-1,3,5-triazine-2-yl)-L-Phe-L-Phe-OMe
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