3-[(4-carbamimidoylphenyl)carbonyl-(3-methylbutanoylamino)amino]heptanoic acid

Systemtic Name: 3-[(4-carbamimidoylphenyl)carbonyl-(3-methylbutanoylamino)amino]heptanoic acid Openeye Name: 3-[(4-carbamimidoylbenzoyl)-(3-methylbutanoylamino)amino]heptanoic acid CAS Name: 3-[[(4-carbamimidoylphenyl)-oxomethyl]-[(3-methyl-1-oxobutyl)amino]amino]heptanoic acid IUPAC Name: 3-[(4-carbamimidoylbenzoyl)-(3-methylbutanoylamino)amino]heptanoic acid Traditional Name: 3-[(4-amidinobenzoyl)-(isovalerylamino)amino]enanthic acid Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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