7-[(4-carbamimidoylphenyl)carbonylamino]-2-(3-methylbutanoylamino)heptanoic acid

Systemtic Name: 7-[(4-carbamimidoylphenyl)carbonylamino]-2-(3-methylbutanoylamino)heptanoic acid Openeye Name: 7-[(4-carbamimidoylbenzoyl)amino]-2-(3-methylbutanoylamino)heptanoic acid CAS Name: 7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-[(3-methyl-1-oxobutyl)amino]heptanoic acid IUPAC Name: 7-[(4-carbamimidoylbenzoyl)amino]-2-(3-methylbutanoylamino)heptanoic acid Traditional Name: 7-[(4-amidinobenzoyl)amino]-2-(isovalerylamino)enanthic acid Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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