Chem
J-GLOBAL ID:200907009328160380   Nikkaji number:J2.570.496G

(2S)-N,N′,N′′-Triphenyl-2β,9β,16β-triisopropyl-5,12,19-trimethyl-7,14,21-trioxo-6,3:13,10:20,17-triepinitrilo-1,4,8,11,15,18-hexaazacyclohenicosa-5,12,19-triene-4,11,18-trisacetamide

(2S)-N,N′,N′′-トリフェニル-2β,9β,16β-トリイソプロピル-5,12,19-トリメチル-7,14,21-トリオキソ-6,3:13,10:20,17-トリエピニトリロ-1,4,8,11,15,18-ヘキサアザシクロヘニコサ-5,12,19-トリエン-4,11,18-トリスアセトアミド
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: C51H60N12O6
Molecular formula furigana: C51-H60-N12-O6
Molecular weight: 937.119
InChI: InChI=1S/C51H60N12O6/c1-28(2)40-46-55-44(31(7)61(46)25-37(64)52-34-19-13-10-14-20-34)50(68)59-42(30(5)6)48-57-45(33(9)63(48)27-39(66)54-36-23-17-12-18-24-36)51(69)60-41(29(3)4)47-56-43(49(67)58-40)32(8)62(47)26-38(65)53-35-21-15-11-16-22-35/h10-24,28-30,40-42H,25-27H2,1-9H3,(H,52,64)(H,53,65)(H,54,66)(H,58,67)(H,59,68)(H,60,69)/t40-,41-,42-/m0/s1
InChI key: BBOLDCAXGOHYKL-BJKOEGOMSA-N
SMILES: CC(C)[C@@H]1NC(=O)c2nc([C@@H](NC(=O)c3nc([C@@H](NC(=O)c4nc1n(CC(=O)Nc1ccccc1)c4C)C(C)C)n(CC(=O)Nc1ccccc1)c3C)C(C)C)n(CC(=O)Nc1ccccc1)c2C
Systematic name  (3):
  • (2S)-N,N′,N′′-トリフェニル-2β,9β,16β-トリイソプロピル-5,12,19-トリメチル-7,14,21-トリオキソ-6,3:13,10:20,17-トリエピニトリロ-1,4,8,11,15,18-ヘキサアザシクロヘニコサ-5,12,19-トリエン-4,11,18-トリスアセトアミド
  • N-フェニル-2-[(4S,11S,18S)-7,14,21-トリメチル-2,9,16-トリオキソ-13,20-ビス[(フェニルカルバモイル)メチル]-4,11,18-トリス(プロパン-2-イル)-3,6,10,13,17,20,22,23,24-ノナアザテトラシクロ[17.2.1.15,8.112,15]テトラコサ-1(21),5(24),7,12(23),14,19(22)-ヘキサエン-6-イル]アセトアミド
  • N-phenyl-2-[(4S,11S,18S)-7,14,21-trimethyl-2,9,16-trioxo-13,20-bis[(phenylcarbamoyl)methyl]-4,11,18-tris(propan-2-yl)-3,6,10,13,17,20,22,23,24-nonaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaen-6-yl]acetamide
Other name (1):
  • (2S)-N,N′,N′′-Triphenyl-2β,9β,16β-triisopropyl-5,12,19-trimethyl-7,14,21-trioxo-6,3:13,10:20,17-triepinitrilo-1,4,8,11,15,18-hexaazacyclohenicosa-5,12,19-triene-4,11,18-trisacetamide
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