Molecule ID: 102509168

IUPAC Name: (2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide

Description: The molecule is a dipeptide resulting from the formal coupling of the carboxy group of N(2)-(diphenylacetyl)-D-arginine with the alpha-amino group of D-2-phenylglycinamide. It has a role as a neuropeptide FF receptor antagonist.

SMILES: N=C(N)NCCC[C@@H](N=C(O)C(c1ccccc1)c1ccccc1)C(O)=N[C@@H](C(=N)O)c1ccccc1

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

InChI: InChI=1S/C28H32N6O3/c29-25(35)24(21-15-8-3-9-16-21)34-26(36)22(17-10-18-32-28(30)31)33-27(37)23(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-9,11-16,22-24H,10,17-18H2,(H2,29,35)(H,33,37)(H,34,36)(H4,30,31,32)/t22-,24-/m1/s1

Molecular Properties:
- Polar Surface Area: 166.0 Ų
- LogP: 2.0