2-[1-[2-[(4-carbamimidoylphenyl)carbonylamino]-2-methyl-butanoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[(4-carbamimidoylphenyl)carbonylamino]-2-methyl-butanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-[(4-carbamimidoylbenzoyl)amino]-2-methyl-butanoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-methyl-1-oxobutyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-[(4-carbamimidoylbenzoyl)amino]-2-methylbutanoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-[(4-amidinobenzoyl)amino]-2-methyl-butanoyl]-4-piperidyl]acetic acid Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)N1CCC(CC1)CC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC(C)(C(=O)N1CCC(CC1)CC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H28N4O4/c1-3-20(2,19(28)24-10-8-13(9-11-24)12-16(25)26)23-18(27)15-6-4-14(5-7-15)17(21)22/h4-7,13H,3,8-12H2,1-2H3,(H3,21,22)(H,23,27)(H,25,26)