2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(2-methylpropylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(2-methylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(isobutylamino)-4-oxo-butanoic acid CAS Name: 2-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-(2-methylpropylamino)-4-oxobutanoic acid IUPAC Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(2-methylpropylamino)-4-oxobutanoic acid Traditional Name: 2-[5-(4-amidinophenyl)pentanoylamino]-4-(isobutylamino)-4-keto-butyric acid Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CC(C(=O)O)NC(=O)CCCCC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CC(C)CNC(=O)CC(C(=O)O)NC(=O)CCCCC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C20H30N4O4/c1-13(2)12-23-18(26)11-16(20(27)28)24-17(25)6-4-3-5-14-7-9-15(10-8-14)19(21)22/h7-10,13,16H,3-6,11-12H2,1-2H3,(H3,21,22)(H,23,26)(H,24,25)(H,27,28)