Chem
J-GLOBAL ID：200907005847283639   Nikkaji number：J1.333.496J

(2S)-2-[[4-[(2-Propynyl)[(S)-3,4,7,8-tetrahydro-2-methyl-4-oxo-6H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]amino]-4-[1-[2-[[(R)-1-carboxyethyl]amino]-2-oxoethyl]-1H-tetrazol-5-yl]butanoic acid

(2S)-2-[[4-[(2-プロピニル)[(S)-3,4,7,8-テトラヒドロ-2-メチル-4-オキソ-6H-シクロペンタ[g]キナゾリン-6-イル]アミノ]ベンゾイル]アミノ]-4-[1-[2-[[(R)-1-カルボキシエチル]アミノ]-2-オキソエチル]-1H-テトラゾール-5-イル]ブタン酸
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： C32H33N9O7
Molecular formula furigana： C32-H33-N9-O7
Molecular weight： 655.672
InChI： InChI=1S/C32H33N9O7/c1-4-13-40(26-11-7-20-14-25-23(15-22(20)26)30(44)35-18(3)34-25)21-8-5-19(6-9-21)29(43)36-24(32(47)48)10-12-27-37-38-39-41(27)16-28(42)33-17(2)31(45)46/h1,5-6,8-9,14-15,17,24,26H,7,10-13,16H2,2-3H3,(H,33,42)(H,36,43)(H,45,46)(H,47,48)(H,34,35,44)/t17-,24+,26+/m1/s1
InChI key： WYETVOHBVJKJQN-JWFGRAFASA-N
SMILES： C[C@@H](NC(=O)Cn1nnnc1CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)[C@H]1CCc2cc3nc(C)[nH]c(=O)c3cc12)C(=O)O)C(=O)O
Systematic name  (3)：
  • (2S)-2-[[4-[(2-プロピニル)[(S)-3,4,7,8-テトラヒドロ-2-メチル-4-オキソ-6H-シクロペンタ[g]キナゾリン-6-イル]アミノ]ベンゾイル]アミノ]-4-[1-[2-[[(R)-1-カルボキシエチル]アミノ]-2-オキソエチル]-1H-テトラゾール-5-イル]ブタン酸
  • (2S)-4-[1-({[(1R)-1-カルボキシエチル]カルバモイル}メチル)-1H-1,2,3,4-テトラゾール-5-イル]-2-[(4-{[(6S)-2-メチル-4-オキソ-3H,4H,6H,7H,8H-シクロペンタ[g]キナゾリン-6-イル](プロパ-2-イン-1-イル)アミノ}フェニル)ホルムアミド]ブタン酸
  • (2S)-4-[1-({[(1R)-1-carboxyethyl]carbamoyl}methyl)-1H-1,2,3,4-tetrazol-5-yl]-2-[(4-{[(6S)-2-methyl-4-oxo-3H,4H,6H,7H,8H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}phenyl)formamido]butanoic acid
Other name (1)：
  • (2S)-2-[[4-[(2-Propynyl)[(S)-3,4,7,8-tetrahydro-2-methyl-4-oxo-6H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]amino]-4-[1-[2-[[(R)-1-carboxyethyl]amino]-2-oxoethyl]-1H-tetrazol-5-yl]butanoic acid
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