BioPACIFIC MIP Molecular Library

Components

(15-oxo-12-pentyl-9,14-diphenyl-9,9a,10,13,13a,14-hexahydro-9,14:10,13-dimethanobenzo[f]tetraphen-11-yl)methyl acrylate

  • Formula: C45H40O3
  • Molecular Weight: 628.300
  • Isomeric SMILES: O=C1C(C(C2=CC=CC=C23)=C(C4=C3C=CC=C4)C51C6=CC=CC=C6)(C7=CC=CC=C7)C8C5C9C(COC(C=C)=O)=C(CCCCC)C8C9

(3-pentylbicyclo[2.2.1]hepta-2,5-dien-2-yl)methanol

  • Formula: C13H20O
  • Molecular Weight: 192.150
  • Isomeric SMILES: OCC1=C(CCCCC)C2C=CC1C2

(S)-2-amino-3-(azulen-1-yl)propanoic acid

  • Formula: C13H13NO2
  • Molecular Weight: 215.090
  • Isomeric SMILES: N[C@H](C(O)=O)CC1=CC=C2C1=CC=CC=C2

11-(hydroxymethyl)-9,12,14-trimethyl-9,9a,10,13,13a,14-hexahydro-9,14:10,13-dimethanobenzo[f]tetraphen-15-one

  • Formula: C28H26O2
  • Molecular Weight: 394.190
  • Isomeric SMILES: OCC1=C(C)C2C(C(C(C3=C4C=CC=C3)=C5C6=C4C=CC=C6)(C)C(C75C)=O)C7C1C2

2-(hydroxymethyl)-5,8-dimethyl-3-pentyl-6,7-diphenyl-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-9-one

  • Formula: C32H36O2
  • Molecular Weight: 452.270
  • Isomeric SMILES: O=C1C(C(C2=CC=CC=C2)=C(C3=CC=CC=C3)C41C)(C)C5C4C6C(CO)=C(CCCCC)C5C6

4-oxo-4-((3-pentylbicyclo[2.2.1]hepta-2,5-dien-2-yl)methoxy)butanoic acid

  • Formula: C17H24O4
  • Molecular Weight: 292.170
  • Isomeric SMILES: O=C(CCC(O)=O)OCC1=C(CCCCC)C2C=CC1C2

C16 – VVAAEE (CONH2)

  • Formula: C42H75N7O11
  • Molecular Weight: 854.100
  • Isomeric SMILES: O=C(CCCCCCCCCCCCCCC)N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H](C)C(N[C@@H](C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N)=O)=O)=O)=O)=O)=O
  • Structural Data

C16 – VVAAEEEE (CONH2)

  • Formula: C52H89N9O17
  • Molecular Weight: 1112.330
  • Isomeric SMILES: O=C(CCCCCCCCCCCCCCC)N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H](C)C(N[C@@H](C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N)=O)=O)=O)=O)=O)=O)=O)=O
  • Structural Data

C16 – VVAAEEK(TAMRA) (CONH2)

  • Formula: C73H107N11O16
  • Molecular Weight: 1394.720
  • Isomeric SMILES: O=C(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCNC(C1=CC2=C(C3(C(C=CC(N(C)C)=C4)=C4OC5=C3C=CC(N(C)C)=C5)OC2=O)C=C1)=O)C(N)=O)=O)=O)=O)C)=O)C)=O)=O)CCCCCCCCCCCCCCC
  • Structural Data

Spiro[2.4]hepta-4,6-dien-1-ylmethanamine

  • Formula: C8H11N
  • Molecular Weight: 121.090
  • Isomeric SMILES: NCC1C2(C=CC=C2)C1

Spiro[2.4]hepta-4,6-dien-1-ylmethanol

  • Formula: C8H10O
  • Molecular Weight: 122.070
  • Isomeric SMILES: OCC1C2(C=CC=C2)C1