(3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-(2-methylpropylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-(2-methylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-(isobutylamino)-4-oxo-butanoic acid CAS Name: (3S)-3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]-4-(2-methylpropylamino)-4-oxobutanoic acid IUPAC Name: (3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-(2-methylpropylamino)-4-oxobutanoic acid Traditional Name: (3S)-3-[4-(4-amidinophenoxy)butanoylamino]-4-(isobutylamino)-4-keto-butyric acid Formula: C19H28N4O5 MolecularWeight: 392.44942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(CC(=O)O)NC(=O)CCCOC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CC(C)CNC(=O)[C@H](CC(=O)O)NC(=O)CCCOC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C19H28N4O5/c1-12(2)11-22-19(27)15(10-17(25)26)23-16(24)4-3-9-28-14-7-5-13(6-8-14)18(20)21/h5-8,12,15H,3-4,9-11H2,1-2H3,(H3,20,21)(H,22,27)(H,23,24)(H,25,26)/t15-/m0/s1