Chem
J-GLOBAL ID:200907051650190959   Nikkaji number:J1.014.354C

(2E,4S)-4-[(Cbz-Leu-Abu-)Amino]-6-carbamoyl-2-hexenoic acid ethyl ester

(2E,4S)-4-[(Cbz-Leu-Abu-)アミノ]-6-カルバモイル-2-ヘキセン酸エチル
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: C27H40N4O7
Molecular formula furigana: C27-H40-N4-O7
Molecular weight: 532.638
InChI: InChI=1S/C27H40N4O7/c1-5-21(25(34)29-20(12-14-23(28)32)13-15-24(33)37-6-2)30-26(35)22(16-18(3)4)31-27(36)38-17-19-10-8-7-9-11-19/h7-11,13,15,18,20-22H,5-6,12,14,16-17H2,1-4H3,(H2,28,32)(H,29,34)(H,30,35)(H,31,36)/b15-13+/t20-,21-,22-/m0/s1
InChI key: BBFAFVLGAKFSLG-JKCGXOLOSA-N
SMILES: CCOC(=O)/C=C/[C@H](CCC(=O)N)NC(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Systematic name  (3):
  • (2E,4S)-4-[(Cbz-Leu-Abu-)アミノ]-6-カルバモイル-2-ヘキセン酸エチル
  • エチル (2E,4S)-4-[(2S)-2-[(2S)-2-{[(ベンジルオキシ)カルボニル]アミノ}-4-メチルペンタンアミド]ブタンアミド]-6-カルバモイルヘキサ-2-エノアート
  • ethyl (2E,4S)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido]butanamido]-6-carbamoylhex-2-enoate
Other name (1):
  • (2E,4S)-4-[(Cbz-Leu-Abu-)Amino]-6-carbamoyl-2-hexenoic acid ethyl ester
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