3-(1H-imidazol-5-yl)-2-[3-(octylcarbamoylamino)propanoylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[3-(octylcarbamoylamino)propanoylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[3-(octylcarbamoylamino)propanoylamino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[3-[[(octylamino)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[3-(octylcarbamoylamino)propanoylamino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[3-(octylcarbamoylamino)propanoylamino]propionic acid Formula: C18H31N5O4 MolecularWeight: 381.46984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NCCC(=O)NC(CC1=CN=CN1)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NCCC(=O)NC(CC1=CN=CN1)C(=O)O

InChI

InChI=1S/C18H31N5O4/c1-2-3-4-5-6-7-9-20-18(27)21-10-8-16(24)23-15(17(25)26)11-14-12-19-13-22-14/h12-13,15H,2-11H2,1H3,(H,19,22)(H,23,24)(H,25,26)(H2,20,21,27)