Chem
J-GLOBAL ID:200907025179711403   Nikkaji number:J2.147.334K

2-[[N-Allyl-N-tosyl-L-Val-L-Pro-L-Leu-]amino]-4-pentenoic acid methyl ester

2-[[N-アリル-N-トシル-L-Val-L-Pro-L-Leu-]アミノ]-4-ペンテン酸メチル
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: C32H48N4O7S
Molecular formula furigana: C32-H48-N4-O7-S
Molecular weight: 632.820
InChI: InChI=1S/C32H48N4O7S/c1-9-12-25(32(40)43-8)33-29(37)26(20-21(3)4)34-30(38)27-13-11-19-35(27)31(39)28(22(5)6)36(18-10-2)44(41,42)24-16-14-23(7)15-17-24/h9-10,14-17,21-22,25-28H,1-2,11-13,18-20H2,3-8H3,(H,33,37)(H,34,38)/t25?,26-,27-,28-/m0/s1
InChI key: RVEZZMJFZVKLRM-CXHZJFFNSA-N
SMILES: COC(=O)C(CC=C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(CC=C)S(=O)(=O)c1ccc(C)cc1
Systematic name  (3):
  • 2-[[N-アリル-N-トシル-L-Val-L-Pro-L-Leu-]アミノ]-4-ペンテン酸メチル
  • メチル 2-[(2S)-4-メチル-2-{[(2S)-1-[(2S)-3-メチル-2-[N-(プロパ-2-エン-1-イル)4-メチルベンゼンスルホンアミド]ブタノイル]ピロリジン-2-イル]ホルムアミド}ペンタンアミド]ペンタ-4-エノアート
  • methyl 2-[(2S)-4-methyl-2-{[(2S)-1-[(2S)-3-methyl-2-[N-(prop-2-en-1-yl)4-methylbenzenesulfonamido]butanoyl]pyrrolidin-2-yl]formamido}pentanamido]pent-4-enoate
Other name (1):
  • 2-[[N-Allyl-N-tosyl-L-Val-L-Pro-L-Leu-]amino]-4-pentenoic acid methyl ester
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