Molecule ID: 7058182

IUPAC Name: [(4R)-4-benzamido-5-(4-nitroanilino)-5-oxopentyl]-(diaminomethylidene)azanium

Description: The molecule is conjugate acid of N-benzoyl-D-arginine-4-nitroanilide arsing from protonation of the side-chain guanidine function of the arginine residue. It is a conjugate acid of a N-benzoyl-D-arginine-4-nitroanilide.

SMILES: NC(=[NH2+])NCCC[C@@H](N=C(O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

SELFIES: [N][C][=Branch1][C][=NH2+1][N][C][C][C][C@@H1][Branch1][=C][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]

InChI: InChI=1S/C19H22N6O4/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22)/p+1/t16-/m1/s1

Molecular Properties:
- Polar Surface Area: 170.0 Ų
- LogP: 1.1