Chem
J-GLOBAL ID：200907018849678805   Nikkaji number：J1.991.515H

N-[3-(1,3-Cyclopentadiene-1-yl)propionyl]-Gly-Arg-Gly-Asp-Ser-NH2

N-[3-(1,3-シクロペンタジエン-1-イル)プロピオニル]-Gly-Arg-Gly-Asp-Ser-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： C25H39N9O9
Molecular formula furigana： C25-H39-N9-O9
Molecular weight： 609.641
InChI： InChI=1S/C25H39N9O9/c26-22(41)17(13-35)34-24(43)16(10-21(39)40)33-20(38)12-31-23(42)15(6-3-9-29-25(27)28)32-19(37)11-30-18(36)8-7-14-4-1-2-5-14/h1-2,4,15-17,35H,3,5-13H2,(H2,26,41)(H,30,36)(H,31,42)(H,32,37)(H,33,38)(H,34,43)(H,39,40)(H4,27,28,29)/t15-,16-,17-/m0/s1
InChI key： VDOJNZXGOOONSE-ULQDDVLXSA-N
SMILES： NC(=N)NCCC[C@H](NC(=O)CNC(=O)CCC1=CC=CC1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N
Systematic name  (3)：
  • N-[3-(1,3-シクロペンタジエン-1-イル)プロピオニル]-Gly-Arg-Gly-Asp-Ser-NH2
  • (3S)-3-{2-[(2S)-5-カルバムイミドアミド-2-{2-[3-(シクロペンタ-1,3-ジエン-1-イル)プロパンアミド]アセトアミド}ペンタンアミド]アセトアミド}-3-{[(1S)-1-カルバモイル-2-ヒドロキシエチル]カルバモイル}プロパン酸
  • (3S)-3-{2-[(2S)-5-carbamimidamido-2-{2-[3-(cyclopenta-1,3-dien-1-yl)propanamido]acetamido}pentanamido]acetamido}-3-{[(1S)-1-carbamoyl-2-hydroxyethyl]carbamoyl}propanoic acid
Other name (1)：
  • N-[3-(1,3-Cyclopentadiene-1-yl)propionyl]-Gly-Arg-Gly-Asp-Ser-NH2
Thsaurus map：
Thesaurus Map

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