Chem
J-GLOBAL ID：200907032259515954   Nikkaji number：J1.650.990F

(3R)-3-[[(2S)-2-[[3-[3-(2-Methylphenyl)ureido]phenyl]acetylamino]-4-methylpentanoyl]amino]-5-hexenoic acid

(3R)-3-[[(2S)-2-[[3-[3-(2-メチルフェニル)ウレイド]フェニル]アセチルアミノ]-4-メチルペンタノイル]アミノ]-5-ヘキセン酸
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： C28H36N4O5
Molecular formula furigana： C28-H36-N4-O5
Molecular weight： 508.619
InChI： InChI=1S/C28H36N4O5/c1-5-9-21(17-26(34)35)29-27(36)24(14-18(2)3)31-25(33)16-20-11-8-12-22(15-20)30-28(37)32-23-13-7-6-10-19(23)4/h5-8,10-13,15,18,21,24H,1,9,14,16-17H2,2-4H3,(H,29,36)(H,31,33)(H,34,35)(H2,30,32,37)/t21-,24+/m1/s1
InChI key： XDKYCPNDQUBZRR-QPPBQGQZSA-N
SMILES： CC(C)C[C@H](NC(=O)Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@H](CC=C)CC(=O)O
Systematic name  (3)：
  • (3R)-3-[[(2S)-2-[[3-[3-(2-メチルフェニル)ウレイド]フェニル]アセチルアミノ]-4-メチルペンタノイル]アミノ]-5-ヘキセン酸
  • (3R)-3-[(2S)-4-メチル-2-[2-(3-{[(2-メチルフェニル)カルバモイル]アミノ}フェニル)アセトアミド]ペンタンアミド]ヘキサ-5-エン酸
  • (3R)-3-[(2S)-4-methyl-2-[2-(3-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetamido]pentanamido]hex-5-enoic acid
Other name (1)：
  • (3R)-3-[[(2S)-2-[[3-[3-(2-Methylphenyl)ureido]phenyl]acetylamino]-4-methylpentanoyl]amino]-5-hexenoic acid
Thsaurus map：
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