3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[(3-methyl-1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[(3-methyl-1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[[2-methyl-1-(morpholine-4-carbonyl)propyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]-4-[[3-methyl-1-(4-morpholinyl)-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[4-(4-amidinophenoxy)butanoylamino]-4-keto-4-[[2-methyl-1-(morpholine-4-carbonyl)propyl]amino]butyric acid Formula: C24H35N5O7 MolecularWeight: 505.564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCOCC1)NC(=O)C(CC(=O)O)NC(=O)CCCOC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)C(C(=O)N1CCOCC1)NC(=O)C(CC(=O)O)NC(=O)CCCOC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C24H35N5O7/c1-15(2)21(24(34)29-9-12-35-13-10-29)28-23(33)18(14-20(31)32)27-19(30)4-3-11-36-17-7-5-16(6-8-17)22(25)26/h5-8,15,18,21H,3-4,9-14H2,1-2H3,(H3,25,26)(H,27,30)(H,28,33)(H,31,32)