Molecule ID: 129626700

IUPAC Name: (2R)-2-[[(2S)-6-acetamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid

Description: The molecule is an eight-membered oligopeptide comprising L-leucine, L-serine, L-glutamic acid, L-threonine, L-glutamic acid, L-threonine, N(6)-acetyl-L-lysine and D-leucine residues coupled in sequence.

SMILES: CC(O)=NCCCC[C@H](N=C(O)[C@@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(C)O)C(C)O)C(O)=N[C@H](CC(C)C)C(=O)O

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

InChI: InChI=1S/C41H71N9O17/c1-19(2)16-24(42)34(59)48-29(18-51)38(63)44-26(11-13-30(55)56)36(61)49-33(22(6)53)40(65)46-27(12-14-31(57)58)37(62)50-32(21(5)52)39(64)45-25(10-8-9-15-43-23(7)54)35(60)47-28(41(66)67)17-20(3)4/h19-22,24-29,32-33,51-53H,8-18,42H2,1-7H3,(H,43,54)(H,44,63)(H,45,64)(H,46,65)(H,47,60)(H,48,59)(H,49,61)(H,50,62)(H,55,56)(H,57,58)(H,66,67)/t21?,22?,24-,25-,26-,27-,28+,29-,32-,33-/m0/s1

Molecular Properties:
- Polar Surface Area: 431.0 Ų
- LogP: -5.4