Chem
J-GLOBAL ID：200907001156359307   Nikkaji number：J1.249.101H

N-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-6-yl)-Ala-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-N-[2-(2,4-diamino-1,3,5-triazine-6-ylamino)ethyl]-NH2

N-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-6-イル)-Ala-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-N-[2-(2,4-ジアミノ-1,3,5-トリアジン-6-イルアミノ)エチル]-NH2
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： C92H162N26O19
Molecular formula furigana： C92-H162-N26-O19
Molecular weight： 1936.471
InChI： InChI=1S/C92H162N26O19/c1-45(2)36-54(98-64(120)53(17)97-62-44-63(119)107-84(137)106-62)65(121)112-86(20,21)74(130)100-56(38-47(5)6)67(123)114-88(24,25)76(132)102-58(40-49(9)10)69(125)116-90(28,29)78(134)104-60(42-51(13)14)71(127)118-92(32,33)80(136)105-61(43-52(15)16)72(128)117-91(30,31)79(135)103-59(41-50(11)12)70(126)115-89(26,27)77(133)101-57(39-48(7)8)68(124)113-87(22,23)75(131)99-55(37-46(3)4)66(122)111-85(18,19)73(129)95-34-35-96-83-109-81(93)108-82(94)110-83/h44-61H,34-43H2,1-33H3,(H,95,129)(H,98,120)(H,99,131)(H,100,130)(H,101,133)(H,102,132)(H,103,135)(H,104,134)(H,105,136)(H,111,122)(H,112,121)(H,113,124)(H,114,123)(H,115,126)(H,116,125)(H,117,128)(H,118,127)(H3,97,106,107,119,137)(H5,93,94,96,108,109,110)/t53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1
InChI key： CLIOTSTUZIITDD-APKOLTMOSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@H](C)Nc1cc(=O)[nH]c(=O)[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NCCNc1nc(N)nc(N)n1
Systematic name  (3)：
  • N-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-6-イル)-Ala-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-Leu-2,2-ジメチル-Gly-N-[2-(2,4-ジアミノ-1,3,5-トリアジン-6-イルアミノ)エチル]-NH2
  • (2S)-N-(1-{[(1S)-1-[(1-{[(1S)-1-[(1-{[(1S)-1-[(1-{[(1S)-1-[(1-{[(1S)-1-[(1-{[(1S)-1-[(1-{[(1S)-1-{[1-({2-[(4,6-ジアミノ-1,3,5-トリアジン-2-イル)アミノ]エチル}カルバモイル)-1-メチルエチル]カルバモイル}-3-メチルブチル]カルバモイル}-1-メチルエチル)カルバモイル]-3-メチルブチル]カルバモイル}-1-メチルエチル)カルバモイル]-3-メチルブチル]カルバモイル}-1-メチルエチル)カルバモイル]-3-メチルブチル]カルバモイル}-1-メチルエチル)カルバモイル]-3-メチルブチル]カルバモイル}-1-メチルエチル)カルバモイル]-3-メチルブチル]カルバモイル}-1-メチルエチル)カルバモイル]-3-メチルブチル]カルバモイル}-1-メチルエチル)-2-[(2S)-2-[(2,6-ジオキソ-1,2,3,6-テトラヒドロピリミジン-4-イル)アミノ]プロパンアミド]-4-メチルペンタンアミド
  • (2S)-N-(1-{[(1S)-1-[(1-{[(1S)-1-[(1-{[(1S)-1-[(1-{[(1S)-1-[(1-{[(1S)-1-[(1-{[(1S)-1-[(1-{[(1S)-1-{[1-({2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl}carbamoyl)-1-methylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-1-methylethyl)carbamoyl]-3-methylbutyl]carbamoyl}-1-methylethyl)carbamoyl]-3-methylbutyl]carbamoyl}-1-methylethyl)carbamoyl]-3-methylbutyl]carbamoyl}-1-methylethyl)carbamoyl]-3-methylbutyl]carbamoyl}-1-methylethyl)carbamoyl]-3-methylbutyl]carbamoyl}-1-methylethyl)carbamoyl]-3-methylbutyl]carbamoyl}-1-methylethyl)-2-[(2S)-2-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]propanamido]-4-methylpentanamide
Other name (1)：
  • N-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-6-yl)-Ala-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-Leu-2,2-dimethyl-Gly-N-[2-(2,4-diamino-1,3,5-triazine-6-ylamino)ethyl]-NH2
Thsaurus map：
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