Molecule ID: 131708304

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

Description: The molecule is an oligopeptide composed of L-alanine, L-arginine, glycine, L-tyrosine, L-serine, L-serine, L-phenylalanine, L-arginine, L-tyrosine, L-trytophan, L-phenylalanine and L-phenylalanine joined in sequence by peptide linkages.

SMILES: C[C@H](N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(=O)O

SELFIES: [C][C@H1][Branch1][C][N][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][O][=N][C][C][Branch1][C][O][=N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][O][=N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][=N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C79H99N19O17/c1-45(80)67(104)90-56(23-13-33-85-78(81)82)68(105)88-42-66(103)89-58(37-49-25-29-52(101)30-26-49)70(107)97-65(44-100)76(113)98-64(43-99)75(112)94-59(35-46-15-5-2-6-16-46)71(108)91-57(24-14-34-86-79(83)84)69(106)92-61(38-50-27-31-53(102)32-28-50)72(109)95-62(40-51-41-87-55-22-12-11-21-54(51)55)74(111)93-60(36-47-17-7-3-8-18-47)73(110)96-63(77(114)115)39-48-19-9-4-10-20-48/h2-12,15-22,25-32,41,45,56-65,87,99-102H,13-14,23-24,33-40,42-44,80H2,1H3,(H,88,105)(H,89,103)(H,90,104)(H,91,108)(H,92,106)(H,93,111)(H,94,112)(H,95,109)(H,96,110)(H,97,107)(H,98,113)(H,114,115)(H4,81,82,85)(H4,83,84,86)/t45-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1

Molecular Properties:
- Polar Surface Area: 604.0 Ų
- LogP: -1.1