Molecule ID: 45266904

IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[6-[[(2S)-6-amino-1-[[(2S)-1-[[6-amino-1-[[(2S)-1-[[(1S)-5-amino-1-carboxypentyl]amino]-6-(5-carboxypentanoyloxy)-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-6-(5-carboxypentanoylamino)-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-6-oxohexanoyl]amino]hexanoyl]amino]-6-(5-carboxypentanoylamino)hexanoyl]amino]hexanoyl]amino]-6-(5-carboxypentanoylamino)hexanoyl]amino]hexanoic acid

Description: The molecule is a polyamide that is an oligo-L-lysine derivative in which four of the lysine residues carry adipic acid, which is linked via one of the carboxy groups to the epsilon-amino function. It is used as a haptenic carrier. It contains a L-lysine residue.

SMILES: NCCCCC(N=C(O)[C@H](CCCCN=C(O)CCCCC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)CCCCC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN=C(O)CCCCC(=O)O)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN=C(O)CCCCC(=O)O)C(O)=N[C@@H](CCCCN)C(=O)O)C(O)=N[C@@H](CCCCOC(=O)CCCCC(=O)O)C(O)=N[C@@H](CCCCN)C(=O)O

SELFIES: [N][C][C][C][C][C][Branch2][O][Ring2][N][=C][Branch1][C][O][C@H1][Branch2][Ring1][Ring1][C][C][C][C][N][=C][Branch1][C][O][C][C][C][C][C][=Branch1][C][=O][O][N][=C][Branch1][C][O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][=C][Branch1][C][O][C][C][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][O][=N][C@@H1][Branch2][Ring1][Ring1][C][C][C][C][N][=C][Branch1][C][O][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][O][=N][C@@H1][Branch2][Ring1][Ring1][C][C][C][C][N][=C][Branch1][C][O][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][C@@H1][Branch2][Ring1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C90H161N19O27/c91-51-21-11-31-61(81(124)102-65(35-17-27-57-97-71(110)41-3-6-46-76(115)116)85(128)104-63(33-13-23-53-93)83(126)106-67(87(130)108-69(89(132)133)39-15-25-55-95)37-19-29-59-99-73(112)43-5-8-48-78(119)120)100-74(113)44-1-2-45-75(114)101-62(32-12-22-52-92)82(125)103-66(36-18-28-58-98-72(111)42-4-7-47-77(117)118)86(129)105-64(34-14-24-54-94)84(127)107-68(88(131)109-70(90(134)135)40-16-26-56-96)38-20-30-60-136-80(123)50-10-9-49-79(121)122/h61-70H,1-60,91-96H2,(H,97,110)(H,98,111)(H,99,112)(H,100,113)(H,101,114)(H,102,124)(H,103,125)(H,104,128)(H,105,129)(H,106,126)(H,107,127)(H,108,130)(H,109,131)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,132,133)(H,134,135)/t61-,62-,63-,64?,65-,66-,67-,68-,69-,70-/m0/s1

Molecular Properties:
- Polar Surface Area: 785.0 Ų
- LogP: -16.5