2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-2-(3-oxidanylidenepropanoylamino)hexanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-2-(3-oxidanylidenepropanoylamino)hexanoic acid Openeye Name: 2-[(4-carbamimidoylphenyl)methyl]-3-morpholino-2-(3-oxopropanoylamino)hexanoic acid CAS Name: 2-[(4-carbamimidoylphenyl)methyl]-2-(1,3-dioxopropylamino)-3-(4-morpholinyl)hexanoic acid IUPAC Name: 2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-2-(3-oxopropanoylamino)hexanoic acid Traditional Name: 2-(4-amidinobenzyl)-2-(3-ketopropanoylamino)-3-morpholino-hexanoic acid Formula: C21H30N4O5 MolecularWeight: 418.4867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC1=CC=C(C=C1)C(=N)N)(C(=O)O)NC(=O)CC=O)N2CCOCC2

Isomeric SMILES

CCCC(C(CC1=CC=C(C=C1)C(=N)N)(C(=O)O)NC(=O)CC=O)N2CCOCC2

InChI

InChI=1S/C21H30N4O5/c1-2-3-17(25-9-12-30-13-10-25)21(20(28)29,24-18(27)8-11-26)14-15-4-6-16(7-5-15)19(22)23/h4-7,11,17H,2-3,8-10,12-14H2,1H3,(H3,22,23)(H,24,27)(H,28,29)