2-[[2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-3-oxidanylidene-propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-3-oxidanylidene-propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-morpholino-3-oxo-propanoyl]amino]hexanoic acid CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-(4-morpholinyl)-1,3-dioxopropyl]amino]hexanoic acid IUPAC Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-3-keto-3-morpholino-propanoyl]amino]hexanoic acid Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5/c1-2-3-4-17(21(28)29)24-19(26)16(20(27)25-9-11-30-12-10-25)13-14-5-7-15(8-6-14)18(22)23/h5-8,16-17H,2-4,9-13H2,1H3,(H3,22,23)(H,24,26)(H,28,29)