2-[2-azanylpropanoyl(octylcarbamoyl)amino]-3-(4H-imidazol-4-yl)propanoic acid

Systemtic Name: 2-[2-azanylpropanoyl(octylcarbamoyl)amino]-3-(4H-imidazol-4-yl)propanoic acid Openeye Name: 2-[2-aminopropanoyl(octylcarbamoyl)amino]-3-(4H-imidazol-4-yl)propanoic acid CAS Name: 2-[(2-amino-1-oxopropyl)-[(octylamino)-oxomethyl]amino]-3-(4H-imidazol-4-yl)propanoic acid IUPAC Name: 2-[2-aminopropanoyl(octylcarbamoyl)amino]-3-(4H-imidazol-4-yl)propanoic acid Traditional Name: 2-[alanyl(octylcarbamoyl)amino]-3-(4H-imidazol-4-yl)propionic acid Formula: C18H31N5O4 MolecularWeight: 381.46984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)N(C(CC1C=NC=N1)C(=O)O)C(=O)C(C)N

Isomeric SMILES

CCCCCCCCNC(=O)N(C(CC1C=NC=N1)C(=O)O)C(=O)C(C)N

InChI

InChI=1S/C18H31N5O4/c1-3-4-5-6-7-8-9-21-18(27)23(16(24)13(2)19)15(17(25)26)10-14-11-20-12-22-14/h11-15H,3-10,19H2,1-2H3,(H,21,27)(H,25,26)